The University of Queensland

Snake venom nerve growth factors

Lavin, Martin F., Earl, Stephen, Birrell, Geoff, St. Pierre, Liam, Guddat, Luke W., John de Jersey and Masci, Paul (2009). Snake venom nerve growth factors. Handbook of Venoms and Toxins of Reptiles. (pp. 377-392) edited by Stephen P Mackessy. United States of America: CRC Press, Taylor & Francis Group.

Structure and properties of acetohydroxyacid synthase

Duggleby, R.G., Guddat, L. W. and Pang, S. S. (2004). Structure and properties of acetohydroxyacid synthase. Thiamine. Catalytic Mechanisms. (pp. 251-274) edited by F. Jordan and M. S. Patel. USA: Marcel Dekker.

Structure of DsbA

Guddat, Luke and Martin, Jennifer Louise (1997). Structure of DsbA. Guidebook to molecular chaperones and protein-folding catalysts. (pp. x-xx) Oxford (U.K.): Oxford Universit Press.

Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587

Zhang, Yuying, Lai, Yuezheng, Zhou, Shan, Ran, Ting, Zhang, Yue, Zhao, Ziqing, Feng, Ziyan, Yu, Long, Xu, Jinxu, Shi, Kun, Wang, Jianyun, Pang, Yu, Li, Liang, Chen, Hongming, Guddat, Luke W., Gao, Yan, Liu, Fengjiang, Rao, Zihe and Gong, Hongri (2024). Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587. Nature, 631 (8020), 1-6. doi: 10.1038/s41586-024-07605-8

TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry

Wang, Haofeng, Liu, Xiaoce, Zhang, Xiang, Zhao, Zhuoqian, Lu, Yuchi, Pu, Dingzhe, Zhang, Zeyang, Chen, Jie, Wang, Yajie, Li, Mengfei, Dong, Xuxue, Duan, Yinkai, He, Yujia, Mao, Qiyu, Guo, Hangtian, Sun, Haoran, Zhou, Yihan, Yang, Qi, Gao, Yan, Yang, Xiuna, Cao, Hongzhi, Guddat, Luke, Sun, Lei, Rao, Zihe and Yang, Haitao (2024). TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell. doi: 10.1016/j.cell.2024.06.016

Development of Prolinol Containing Inhibitors of Hypoxanthine–Guanine–Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design

Keough, Dianne T., Petrová, Magdalena, King, Gordon, Kratochvíl, Michal, Pohl, Radek, Doleželová, Eva, Zíková, Alena, Guddat, Luke W. and Rejman, Dominik (2024). Development of Prolinol Containing Inhibitors of Hypoxanthine–Guanine–Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design. Journal of Medicinal Chemistry, 67 (9), 7158-7175. doi: 10.1021/acs.jmedchem.4c00021

Mapping of the reaction trajectory catalyzed by class I ketol-acid reductoisomerase

Lin, Xin, Lonhienne, Thierry, Lv, You, Kurz, Julia L., McGeary, Ross P., Schenk, Gerhard and Guddat, Luke W. (2024). Mapping of the reaction trajectory catalyzed by class I ketol-acid reductoisomerase. ACS Catalysis, 14 (9), 6827-6841. doi: 10.1021/acscatal.4c00958

An oligopeptide permease, OppABCD, requires an iron–sulfur cluster domain for functionality

Yang, Xiaolin, Hu, Tianyu, Liang, Jingxi, Xiong, Zhiqi, Lin, Zhenli, Zhao, Yao, Zhou, Xiaoting, Gao, Yan, Sun, Shan, Yang, Xiuna, Guddat, Luke W., Yang, Haitao, Rao, Zihe and Zhang, Bing (2024). An oligopeptide permease, OppABCD, requires an iron–sulfur cluster domain for functionality. Nature Structural & Molecular Biology, 31 (7), 1-11. doi: 10.1038/s41594-024-01256-z

Molecular basis for substrate transport of <i>Mycobacterium tuberculosis</i> ABC importer DppABCD

Hu, Tianyu, Yang, Xiaolin, Zhu, Yuanchen, Liu, Fengjiang, Yang, Xiuna, Xiong, Zhiqi, Liang, Jingxi, Lin, Zhenli, Ran, Yuting, Guddat, Luke W., Rao, Zihe and Zhang, Bing (2024). Molecular basis for substrate transport of Mycobacterium tuberculosis ABC importer DppABCD. Science Advances, 10 (12) eadk8521, eadk8521. doi: 10.1126/sciadv.adk8521

Targeting the hSSB1-INTS3 interface: a computational screening driven approach to identify potential modulators

Barbhuiya, Tabassum Khair, Beard, Sam, Shah, Esha T., Mason, Steven, Bolderson, Emma, O’Byrne, Ken, Guddat, Luke W., Richard, Derek J., Adams, Mark N. and Gandhi, Neha S. (2024). Targeting the hSSB1-INTS3 interface: a computational screening driven approach to identify potential modulators. ACS Omega, 9 (7), 8362-8373. doi: 10.1021/acsomega.3c09267

Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry

Wang, Haofeng, Yang, Qi, Liu, Xiaoce, Xu, Zili, Shao, Maolin, Li, Dongxu, Duan, Yinkai, Tang, Jielin, Yu, Xianqiang, Zhang, Yumin, Hao, Aihua, Wang, Yajie, Chen, Jie, Zhu, Chenghao, Guddat, Luke, Chen, Hongli, Zhang, Leike, Chen, Xinwen, Jiang, Biao, Sun, Lei, Rao, Zihe and Yang, Haitao (2023). Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nature Communications, 14 (1) 7574, 1-14. doi: 10.1038/s41467-023-42527-5

Structure-activity relationships of bensulfuron methyl and its derivatives as novel agents against drug-resistant Candida auris

Sun, Xue-Wen, Liu, Yixuan, Wang, Xiaofang, Li, Hao-Ran, Lin, Xin, Tang, Jin-Yin, Xu, Qing, Agnew-Francis, Kylie A., Fraser, James A., Sun, Zhi-Juan, Guddat, Luke W. and Wang, Jian-Guo (2023). Structure-activity relationships of bensulfuron methyl and its derivatives as novel agents against drug-resistant Candida auris. Chemical Biology & Drug Design, 103 (1) e14364, e14364. doi: 10.1111/cbdd.14364

Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC

Liang, Jingxi, Yang, Xiuna, Hu, Tianyu, Gao, Yan, Yang, Qi, Yang, Haitao, Peng, Wei, Zhou, Xiaoting, Guddat, Luke W., Zhang, Bing, Rao, Zihe and Liu, Fengjiang (2023). Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC. Structure, 31 (10), 1158-1165.e3. doi: 10.1016/j.str.2023.07.014

Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC

Liang, Jingxi, Liu, Fengjiang, Xu, Peng, Shangguan, Wei, Hu, Tianyu, Wang, Shule, Yang, Xiaolin, Xiong, Zhiqi, Yang, Xiuna, Guddat, Luke W., Yu, Biao, Rao, Zihe and Zhang, Bing (2023). Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proceedings of the National Academy of Sciences, 120 (35) e2307625120, 1-9. doi: 10.1073/pnas.2307625120

N2' ‐branched acyclic nucleoside phosphonates containing 9‐deazahypoxanthine as inhibitors of Plasmodium falciparum 6‐oxopurine phosphoribosyltransferase

Vaňková, Karolína, Keough, Dianne T., Hocková, Dana, Guddat, Luke W. and Janeba, Zlatko (2023). N2' ‐branched acyclic nucleoside phosphonates containing 9‐deazahypoxanthine as inhibitors of Plasmodium falciparum 6‐oxopurine phosphoribosyltransferase. ChemMedChem, 18 (15) e202300211, e202300211. doi: 10.1002/cmdc.202300211

Optimization of an α-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approaches

Feder, Daniel, Mohd-Pahmi, Siti Hajar, Adibi, Hadi, Guddat, Luke W., Schenk, Gerhard, McGeary, Ross P. and Hussein, Waleed M. (2023). Optimization of an α-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approaches. European Journal of Medicinal Chemistry, 254 115383, 1-19. doi: 10.1016/j.ejmech.2023.115383

Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB

Sun, Shan, Gao, Yan, Yang, Xiaolin, Yang, Xiuna, Hu, Tianyu, Jingxi, Liang, Xiong, Zhiqi, Ran, Yuting, Ren, Pengxuan, Bai, Fang, Guddat, Luke W, Yang, Haitao, Rao, Zihe and Zhang, Bing (2023). Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB. Protein and Cell, 14 (6), 448-458. doi: 10.1093/procel/pwac060

Structure of the human ATP synthase

Lai, Yuezheng, Zhang, Yuying, Zhou, Shan, Xu, Jinxu, Du, Zhanqiang, Feng, Ziyan, Yu, Long, Zhao, Ziqing, Wang, Weiwei, Tang, Yanting, Yang, Xiuna, Guddat, Luke W., Liu, Fengjiang, Gao, Yan, Rao, Zihe and Gong, Hongri (2023). Structure of the human ATP synthase. Molecular Cell, 83 (12), 2137-2147.e4. doi: 10.1016/j.molcel.2023.04.029

Cryo-EM structures of a prokaryotic heme transporter CydDC

Zhu, Chen, Shi, Yanfeng, Yu, Jing, Zhao, Wenhao, Li, Lingqiao, Jingxi, Liang, Yang, Xiaolin, Zhang, Bing, Zhao, Yao, Gao, Yan, Chen, Xiaobo, Yang, Xiuna, Zhang, Lu, Guddat, Luke W., Liu, Lei, Yang, Haitao, Rao, Zihe and Li, Jun (2023). Cryo-EM structures of a prokaryotic heme transporter CydDC. Protein and Cell, 14 (12), 919-923. doi: 10.1093/procel/pwad022

Structure of the human respiratory complex II

Du, Zhanqiang, Zhou, Xiaoting, Lai, Yuezheng, Xu, Jinxu, Zhang, Yuying, Zhou, Shan, Feng, Ziyan, Yu, Long, Tang, Yanting, Wang, Weiwei, Yu, Lu, Tian, Changlin, Ran, Ting, Chen, Hongming, Guddat, Luke W., Liu, Fengjiang, Gao, Yan, Rao, Zihe and Gong, Hongri (2023). Structure of the human respiratory complex II. Proceedings of the National Academy of Sciences, 120 (18) e2216713120, e2216713120. doi: 10.1073/pnas.2216713120

Crystal structure of the commercial herbicide, amidosulfuron, in complex with Arabidopsis thaliana acetohydroxyacid synthase

Cheng, Yan, Lonhienne, Thierry, Garcia, Mario. D., Williams, Craig M., Schenk, Gerard and Guddat, Luke W. (2023). Crystal structure of the commercial herbicide, amidosulfuron, in complex with Arabidopsis thaliana acetohydroxyacid synthase. Journal of Agricultural and Food Chemistry, 71 (13), 5117-5126. doi: 10.1021/acs.jafc.2c08528

Structural and functional insight into the mechanism of the Fe‐S cluster‐dependent dehydratase from Paralcaligenes ureilyticus

Bayaraa, Tenuun, Lonhienne, Thierry, Sutiono, Samuel, Melse, Okke, Brück, Thomas B., Marcellin, Esteban, Bernhardt, Paul V., Boden, Mikael, Harmer, Jeffrey R., Sieber, Volker, Guddat, Luke W. and Schenk, Gerhard (2023). Structural and functional insight into the mechanism of the Fe‐S cluster‐dependent dehydratase from Paralcaligenes ureilyticus. Chemistry: A European Journal, 29 (9) e202203140, 1-13. doi: 10.1002/chem.202203140

Structural basis of resistance to herbicides that target acetohydroxyacid synthase

Lonhienne, Thierry, Cheng, Yan, Garcia, Mario D., Hu, Shu Hong, Low, Yu Shang, Schenk, Gerhard, Williams, Craig M. and Guddat, Luke W. (2022). Structural basis of resistance to herbicides that target acetohydroxyacid synthase. Nature Communications, 13 (1) 3368, 3368. doi: 10.1038/s41467-022-31023-x

A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors

Yan, Liming, Huang, Yucen, Ge, Ji, Liu, Zhenyu, Lu, Pengchi, Huang, Bo, Gao, Shan, Wang, Junbo, Tan, Liping, Ye, Sihan, Yu, Fengxi, Lan, Weiqi, Xu, Shiya, Zhou, Feng, Shi, Lei, Guddat, Luke W., Gao, Yan, Rao, Zihe and Lou, Zhiyong (2022). A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185 (23), 4347-4360. doi: 10.1016/j.cell.2022.09.037

Engineering indel and substitution variants of diverse and ancient enzymes using Graphical Representation of Ancestral Sequence Predictions (GRASP)

Foley, Gabriel, Mora, Ariane, Ross, Connie M., Bottoms, Scott, Sützl, Leander, Lamprecht, Marnie L., Zaugg, Julian, Essebier, Alexandra, Balderson, Brad, Newell, Rhys, Thomson, Raine E. S., Kobe, Bostjan, Barnard, Ross T., Guddat, Luke, Schenk, Gerhard, Carsten, Jörg, Gumulya, Yosephine, Rost, Burkhard, Haltrich, Dietmar, Sieber, Volker, Gillam, Elizabeth M. J. and Bodén, Mikael (2022). Engineering indel and substitution variants of diverse and ancient enzymes using Graphical Representation of Ancestral Sequence Predictions (GRASP). PL o S Computational Biology, 18 (10) e1010633, e1010633. doi: 10.1371/journal.pcbi.1010633

Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3

Hu, Tianyu, Yang, Xiaolin, Liu, Fengjiang, Sun, Shan, Xiong, Zhiqi, Liang, Jingxi, Yang, Xiaobao, Wang, Haofeng, Yang, Xiuna, Guddat, Luke W., Yang, Haitao, Rao, Zihe and Zhang, Bing (2022). Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3. Structure, 30 (10), 1395-1402.e4. doi: 10.1016/j.str.2022.07.009

Enhancing the Thermal and Kinetic Stability of Ketol-Acid Reductoisomerase, a Central Catalyst of a Cell-Free Enzyme Cascade for the Manufacture of Platform Chemicals

Lv, You, Zheng, Shan, Goldenzweig, Adi, Liu, Fengjiang, Gao, Yan, Yang, Xiuna, Kandale, Ajit, McGeary, Ross P., Williams, Simon, Kobe, Bostjan, Schembri, Mark A., Landsberg, Michael J., Wu, Bin, Brück, Thomas B., Sieber, Volker, Boden, Mikael, Rao, Zihe, Fleishman, Sarel J., Schenk, Gerhard and Guddat, Luke W. (2022). Enhancing the Thermal and Kinetic Stability of Ketol-Acid Reductoisomerase, a Central Catalyst of a Cell-Free Enzyme Cascade for the Manufacture of Platform Chemicals. Applied Biosciences, 1 (2), 163-178. doi: 10.3390/applbiosci1020011

Genome-guided analysis of seven weed species reveals conserved sequence and structural features of key gene targets for herbicide development

Shah, Sarah, Lonhienne, Thierry, Murray, Cody-Ellen, Chen, Yibi, Dougan, Katherine E., Low, Yu Shang, Williams, Craig M., Schenk, Gerhard, Walter, Gimme H., Guddat, Luke W. and Chan, Cheong Xin (2022). Genome-guided analysis of seven weed species reveals conserved sequence and structural features of key gene targets for herbicide development. Frontiers in Plant Science, 13 909073. doi: 10.3389/fpls.2022.909073

Dihydroxy‐acid dehydratases from pathogenic bacteria: emerging drug targets to combat antibiotic resistance

Bayaraa, Tenuun, Gaete, Jose, Sutiono, Samuel, Kurz, Julia, Lonhienne, Thierry, Harmer, Jeffrey R., Bernhardt, Paul V., Sieber, Volker, Guddat, Luke and Schenk, Gerhard (2022). Dihydroxy‐acid dehydratases from pathogenic bacteria: emerging drug targets to combat antibiotic resistance. Chemistry: A European Journal, 28 (44) e202200927, 1-14. doi: 10.1002/chem.202200927

Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2

Zhao, Yao, Zhu, Yan, Liu, Xiang, Jin, Zhenming, Duan, Yinkai, Zhang, Qi, Wu, Chengyao, Feng, Lu, Du, Xiaoyu, Zhao, Jinyi, Shao, Maolin, Zhang, Bing, Yang, Xiuna, Wu, Lijie, Ji, Xiaoyun, Guddat, Luke W., Yang, Kailin, Rao, Zihe and Yang, Haitao (2022). Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proceedings of the National Academy of Sciences, 119 (16) e2117142119, 1-9. doi: 10.1073/pnas.2117142119

Herbicides that inhibit acetolactate synthase

Lonhienne, Thierry, Garcia, Mario Daniel, Low, Yu Shang and Guddat, Luke W. (2022). Herbicides that inhibit acetolactate synthase. Frontiers of Agricultural Science and Engineering, 9 (1), 155-160. doi: 10.15302/J-FASE-2021420

Stereo-defined acyclic nucleoside phosphonates are selective and potent inhibitors of parasite 6-oxopurine phosphoribosyltransferases

Klejch, Tomáš, Keough, Dianne T., King, Gordon, Doleželová, Eva, Česnek, Michal, Buděšínský, Miloš, Zíková, Alena, Janeba, Zlatko, Guddat, Luke W. and Hocková, Dana (2022). Stereo-defined acyclic nucleoside phosphonates are selective and potent inhibitors of parasite 6-oxopurine phosphoribosyltransferases. Journal of Medicinal Chemistry, 65 (5), 4030-4057. doi: 10.1021/acs.jmedchem.1c01881

Conformational changes in a macrolide antibiotic binding protein from Mycobacterium smegmatis upon ADP binding

Zhang, Qingqing, Liu, Xiang, Liu, Huijuan, Zhang, Bingjie, Yang, Haitao, Mi, Kaixia, Guddat, Luke W. and Rao, Zihe (2021). Conformational changes in a macrolide antibiotic binding protein from Mycobacterium smegmatis upon ADP binding. Frontiers in Microbiology, 12 780954, 780954. doi: 10.3389/fmicb.2021.780954

Author Correction: Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF (Nature Communications, (2020), 11, 1, (4245), 10.1038/s41467-020-18011-9)

Gong, Hongri, Gao, Yan, Zhou, Xiaoting, Xiao, Yu, Wang, Weiwei, Tang, Yanting, Zhou, Shan, Zhang, Yuying, Ji, Wenxin, Yu, Lu, Tian, Changlin, Lam, Sin Man, Shui, Guanghou, Guddat, Luke W., Wong, Luet-Lok, Wang, Quan and Rao, Zihe (2021). Author Correction: Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF (Nature Communications, (2020), 11, 1, (4245), 10.1038/s41467-020-18011-9). Nature Communications, 12 (1) 1370, 1370. doi: 10.1038/s41467-021-21616-3

Triazolopyrimidine herbicides are potent inhibitors of Aspergillus fumigatus acetohydroxyacid synthase and potential antifungal drug leads

Low, Y. S., Garcia, M. D., Lonhienne, T., Fraser, J. A., Schenk, G. and Guddat, L. W. (2021). Triazolopyrimidine herbicides are potent inhibitors of Aspergillus fumigatus acetohydroxyacid synthase and potential antifungal drug leads. Scientific Reports, 11 (1) 21055. doi: 10.1038/s41598-021-00349-9

Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates

Zhou, Shan, Wang, Weiwei, Zhou, Xiaoting, Zhang, Yuying, Lai, Yuezheng, Tang, Yanting, Xu, Jinxu, Li, Dongmei, Lin, Jianping, Yang, Xiaolin, Ran, Ting, Chen, Hongming, Guddat, Luke W, Wang, Quan, Gao, Yan, Rao, Zihe and Gong, Hongri (2021). Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. eLife, 10 e69418. doi: 10.7554/elife.69418

Kinetic and structural characterization of the first B3 metallo-β-lactamase with an active site glutamic acid

Wilson, Liam A., Knaven, Esmée G., Morris, Marc T., Monteiro Pedroso, Marcelo, Schofield, Christopher J., Brück, Thomas, Boden, Mikael, Waite, David W., Hugenholtz, Philip, Guddat, Luke and Schenk, Gerhard (2021). Kinetic and structural characterization of the first B3 metallo-β-lactamase with an active site glutamic acid. Antimicrobial Agents and Chemotherapy, 65 (10) e00936-21, e0093621. doi: 10.1128/aac.00936-21

Rational design of potent inhibitors of a metallohydrolase using a fragment-based approach

Feder, Daniel, Mohd-Pahmi, Siti H., Hussein, Waleed M., Guddat, Luke W., McGeary, Ross P. and Schenk, Gerhard (2021). Rational design of potent inhibitors of a metallohydrolase using a fragment-based approach. ChemMedChem, 16 (21) cmdc.202100486, 3342-3359. doi: 10.1002/cmdc.202100486

Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels

Wang, Weiwei, Gao, Yan, Tang, Yanting, Zhou, Xiaoting, Lai, Yuezheng, Zhou, Shan, Zhang, Yuying, Yang, Xiuna, Liu, Fengjiang, Guddat, Luke W., Wang, Quan, Rao, Zihe and Gong, Hongri (2021). Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels. Nature Communications, 12 (1) 4621, 1-8. doi: 10.1038/s41467-021-24924-w

Nucleotide analogues containing a pyrrolidine, piperidine or piperazine ring: synthesis and evaluation of inhibition of plasmodial and human 6-oxopurine phosphoribosyltransferases and in vitro antimalarial activity

Frydrych, Jan, Keough, Dianne T., Chavchich, Marina, Travis, Jye, Dračínský, Martin, Edstein, Michael D., Guddat, Luke W., Hocková, Dana and Janeba, Zlatko (2021). Nucleotide analogues containing a pyrrolidine, piperidine or piperazine ring: synthesis and evaluation of inhibition of plasmodial and human 6-oxopurine phosphoribosyltransferases and in vitro antimalarial activity. European Journal of Medicinal Chemistry, 219 113416, 1-18. doi: 10.1016/j.ejmech.2021.113416

Acyclic nucleoside phosphonates with adenine nucleobase inhibit Trypanosoma brucei adenine phosphoribosyltransferase in vitro

Doleželová, Eva, Klejch, Tomáš, Špaček, Petr, Slapničková, Martina, Guddat, Luke, Hocková, Dana and Zíková, Alena (2021). Acyclic nucleoside phosphonates with adenine nucleobase inhibit Trypanosoma brucei adenine phosphoribosyltransferase in vitro. Scientific Reports, 11 (1) 13317, 1-27. doi: 10.1038/s41598-021-91747-6

Coupling of N7-methyltransferase and 3′-5′ exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading

Yan, Liming, Yang, Yunxiang, Li, Mingyu, Zhang, Ying, Zheng, Litao, Ge, Ji, Huang, Yucen C., Liu, Zhenyu, Wang, Tao, Gao, Shan, Zhang, Ran, Huang, Yuanyun Y., Guddat, Luke W., Gao, Yan, Rao, Zihe and Lou, Zhiyong (2021). Coupling of N7-methyltransferase and 3′-5′ exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading. Cell, 184 (13), 3474-3485. doi: 10.1016/j.cell.2021.05.033

Helicobacter pylori xanthine-guanine-hypoxanthine phosphoribosyltransferase - a putative target for drug discovery against gastrointestinal tract infections

Keough, Dianne T., Wun, Shun Jie, Baszczyňski, Ondřej, Eng, Wai Soon, Špaček, Petr, Panjikar, Santosh, Naesens, Lieve, Pohl, Radek, Rejman, Dominik, Hocková, Dana, Ferrero, Richard L. and Guddat, Luke W. (2021). Helicobacter pylori xanthine-guanine-hypoxanthine phosphoribosyltransferase - a putative target for drug discovery against gastrointestinal tract infections. Journal of Medicinal Chemistry, 64 (9), 5710-5729. doi: 10.1021/acs.jmedchem.0c02184

High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors

Zhao, Yao, Du, Xiaoyu, Duan, Yinkai, Pan, Xiaoyan, Sun, Yifang, You, Tian, Han, Lin, Jin, Zhenming, Shang, Weijuan, Yu, Jing, Guo, Hangtian, Liu, Qianying, Wu, Yan, Peng, Chao, Wang, Jun, Zhu, Chenghao, Yang, Xiuna, Yang, Kailin, Lei, Ying, Guddat, Luke W., Xu, Wenqing, Xiao, Gengfu, Sun, Lei, Zhang, Leike, Rao, Zihe and Yang, Haitao (2021). High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors. Protein and Cell, 12 (11), 877-888. doi: 10.1007/s13238-021-00836-9

Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded rieske FeS cluster

Zhou, Xiaoting, Gao, Yan, Wang, Weiwei, Yang, Xiaolin, Yang, Xiuna, Liu, Fengjiang, Tang, Yanting, Lam, Sin Man, Shui, Guanghou, Yu, Lu, Tian, Changlin, Guddat, Luke W., Wang, Quan, Rao, Zihe and Gong, Hongri (2021). Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded rieske FeS cluster. Proceedings of the National Academy of Sciences of the United States of America, 118 (15) e2022308118, 1-6. doi: 10.1073/pnas.2022308118

Discovery of a pyrimidine-dione derivative with potent inhibitory activity against Mycobacterium tuberculosis&nbsp;ketol-acid reductoisomerase

Lin, Xin, Kurz, Julia, Patel, Khushboo, Wun, Shun Jie, Hussein, Waleed, Lonhienne, Thierry, West, Nicholas P., McGeary, Ross P., Schenk, Gerhard and Guddat, Luke William (2021). Discovery of a pyrimidine-dione derivative with potent inhibitory activity against Mycobacterium tuberculosis ketol-acid reductoisomerase. Chemistry: A European Journal, 27 (9) chem.202004665, 3130-3141. doi: 10.1002/chem.202004665

Analogues of the herbicide, N-hydroxy-N-isopropyloxamate, inhibit Mycobacterium tuberculosis ketol-acid reductoisomerase and their prodrugs are promising anti-TB drug leads

Kandale, Ajit, Patel, Khushboo, Hussein, Waleed M., Wun, Shun Jie, Zheng, Shan, Tan, Lendl, West, Nicholas P., Schenk, Gerhard, Guddat, Luke W. and McGeary, Ross P. (2021). Analogues of the herbicide, N-hydroxy-N-isopropyloxamate, inhibit Mycobacterium tuberculosis ketol-acid reductoisomerase and their prodrugs are promising anti-TB drug leads. Journal of Medicinal Chemistry, 64 (3) acs.jmedchem.0c01919, 1670-1684. doi: 10.1021/acs.jmedchem.0c01919

Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis

Yan, Liming, Ge, Ji, Zheng, Litao, Zhang, Ying, Gao, Yan, Wang, Tao, Huang, Yucen, Yang, Yunxiang, Gao, Shan, Li, Mingyu, Liu, Zhenyu, Wang, Haofeng, Li, Yingjian, Chen, Yu, Guddat, Luke W., Wang, Quan, Rao, Zihe and Lou, Zhiyong (2021). Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis. Cell, 184 (1), 184-193.e10. doi: 10.1016/j.cell.2020.11.016

Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF

Gong, Hongri, Gao, Yan, Zhou, Xiaoting, Xiao, Yu, Wang, Weiwei, Tang, Yanting, Zhou, Shan, Zhang, Yuying, Ji, Wenxin, Yu, Lu, Tian, Changlin, Lam, Sin Man, Shui, Guanghou, Guddat, Luke W., Wong, Luet-Lok, Wang, Quan and Rao, Zihe (2020). Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF. Nature Communications, 11 (1) 4245, 4245. doi: 10.1038/s41467-020-18011-9

Structure and mechanism of potent bifunctional β-lactam- and homoserine lactone-degrading enzymes from marine microorganisms

Selleck, Christopher, Pedroso, Marcelo Monteiro, Wilson, Liam, Krco, Stefan, Knaven, Esmée Gianna, Miraula, Manfredi, Mitić, Nataša, Larrabee, James A., Brück, Thomas, Clark, Alice, Guddat, Luke W. and Schenk, Gerhard (2020). Structure and mechanism of potent bifunctional β-lactam- and homoserine lactone-degrading enzymes from marine microorganisms. Scientific Reports, 10 (1) 12882, 12882. doi: 10.1038/s41598-020-68612-z

Inhibition studies of ketol-acid reductoisomerases from pathogenic microorganisms

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Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC

Liu, Fengjiang, Liang, Jingxi, Zhang, Bing, Gao, Yan, Yang, Xiuna, Hu, Tianyu, Yang, Haitao, Xu, Wenqing, Guddat, Luke W. and Rao, Zihe (2020). Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC. Science Advances, 6 (44) eabb9833, eabb9833. doi: 10.1126/sciadv.abb9833

Herbicides that target acetohydroxyacid synthase are potent inhibitors of the growth of drug resistant Candida auris

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Towards a sustainable generation of pseudopterosin-type bioactives

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Structures of fungal and plant acetohydroxyacid synthases

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Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria

Chen, Xiaobo, Chen, Jiayue, Yan, Bing, Zhang, Wei, Guddat, Luke W., Liu, Xiang and Rao, Zihe (2020). Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria. Proceedings of the National Academy of Sciences, 117 (28), 16324-16332. doi: 10.1073/pnas.2002835117

Broad spectrum antibiotic-degrading metallo-β-lactamases are phylogenetically diverse

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Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol

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Structure of Mpro from COVID-19 virus and discovery of its inhibitors

Jin, Zhenming, Du, Xiaoyu, Xu, Yechun, Deng, Yongqiang, Liu, Meiqin, Zhao, Yao, Zhang, Bing, Li, Xiaofeng, Zhang, Leike, Peng, Chao, Duan, Yinkai, Yu, Jing, Wang, Lin, Yang, Kailin, Liu, Fengjiang, Jiang, Rendi, Yang, Xinglou, You, Tian, Liu, Xiaoce, Yang, Xiuna, Bai, Fang, Liu, Hong, Liu, Xiang, Guddat, Luke W., Xu, Wenqing, Xiao, Gengfu, Qin, Chengfeng, Shi, Zhengli, Jiang, Hualiang ... Yang, Haitao (2020). Structure of Mpro from COVID-19 virus and discovery of its inhibitors. Nature, 582 (7811), 289-293. doi: 10.1038/s41586-020-2223-y

Structural basis for the inhibition of mycobacterial MmpL3 by NITD-349 and SPIRO

Yang, Xiaolin, Hu, Tianyu, Yang, Xiuna, Xu, Wenqing, Yang, Haitao, Guddat, Luke W., Zhang, Bing and Rao, Zihe (2020). Structural basis for the inhibition of mycobacterial MmpL3 by NITD-349 and SPIRO. Journal of Molecular Biology, 432 (16), 4426-4434. doi: 10.1016/j.jmb.2020.05.019

Structural basis for RNA replication by the SARS-CoV-2 polymerase

Wang, Quan, Wu, Jiqin, Wang, Haofeng, Gao, Yan, Liu, Qiaojie, Mu, An, Ji, Wenxin, Yan, Liming, Zhu, Yan, Zhu, Chen, Fang, Xiang, Yang, Xiaobao, Huang, Yucen, Gao, Hailong, Liu, Fengjiang, Ge, Ji, Sun, Qianqian, Yang, Xiuna, Xu, Wenqing, Liu, Zhijie, Yang, Haitao, Lou, Zhiyong, Jiang, Biao, Guddat, Luke W., Gong, Peng and Rao, Zihe (2020). Structural basis for RNA replication by the SARS-CoV-2 polymerase. Cell, 182 (2), 417-428.e13. doi: 10.1016/j.cell.2020.05.034

Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur

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Design and development of ((4-methoxyphenyl)carbamoyl) (5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl)amide analogues as Mycobacterium tuberculosis ketol-acid reductoisomerase inhibitors

Krishna, Vagolu Siva, Zheng, Shan, Rekha, Estharla Madhu, Nallangi, Radhika, Sai Prasad, D. V., George, Shilpa E., Guddat, Luke W. and Sriram, Dharmarajan (2020). Design and development of ((4-methoxyphenyl)carbamoyl) (5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl)amide analogues as Mycobacterium tuberculosis ketol-acid reductoisomerase inhibitors. European Journal of Medicinal Chemistry, 193 112178, 112178. doi: 10.1016/j.ejmech.2020.112178

Adaptation of a continuous, calorimetric kinetic assay to study the agmatinase-catalyzed hydrolytic reaction

Wilson, Liam A., Garcia, David, Pedroso, Marcelo Monteiro, Schulz, Benjamin L., Guddat, Luke W. and Schenk, Gerhard (2020). Adaptation of a continuous, calorimetric kinetic assay to study the agmatinase-catalyzed hydrolytic reaction. Analytical Biochemistry, 595 113618, 113618. doi: 10.1016/j.ab.2020.113618

Structure of the RNA-dependent RNA polymerase from COVID-19 virus

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Structures of Mycobacterium tuberculosis penicillin-binding protein 3 in complex with five β-lactam antibiotics reveal mechanism of inactivation

Lu, Zuokun, Wang, Han, Zhang, Aili, Liu, Xiang, Zhou, Weihong, Yang, Cheng, Guddat, Luke, Yang, Haitao, Schofield, Christopher J. and Rao, Zihe (2020). Structures of Mycobacterium tuberculosis penicillin-binding protein 3 in complex with five β-lactam antibiotics reveal mechanism of inactivation. Molecular Pharmacology, 97 (4), 287-294. doi: 10.1124/mol.119.118042

Discovery, synthesis and evaluation of a novel ketol-acid reductoisomerase inhibitor

Bayaraa, Tenuun, Kurz, Julia L., Patel, Khushboo M., Hussein, Waleed M., Bilyj, Jessica K., West, Nicholas P., Schenk, Gerhard, McGeary, Ross P. and Guddat, Luke William (2020). Discovery, synthesis and evaluation of a novel ketol-acid reductoisomerase inhibitor. Chemistry - A European Journal, 26 (41), 8958-8968. doi: 10.1002/chem.202000899

Structural elements that modulate the substrate specificity of plant purple acid phosphatases: avenues for improved phosphorus acquisition in crops

Feder, Daniel, McGeary, Ross P., Mitić, Natasa, Lonhienne, Thierry, Furtado, Agnelo, Schulz, Benjamin L., Henry, Robert J., Schmidt, Susanne, Guddat, Luke W. and Schenk, Gerhard (2020). Structural elements that modulate the substrate specificity of plant purple acid phosphatases: avenues for improved phosphorus acquisition in crops. Plant Science, 294 110445, 110445. doi: 10.1016/j.plantsci.2020.110445

Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2

Zhang, Lu, Zhao, Yao, Gao, Ruogu, Li, Jun, Yang, Xiuna, Gao, Yan, Zhao, Wei, Gurcha, Sudagar S., Veerapen, Natacha, Batt, Sarah M., Besra, Kajelle Kaur, Xu, Wenqing, Bi, Lijun, Zhang, Xian’en, Guddat, Luke W., Yang, Haitao, Wang, Quan, Besra, Gurdyal S. and Rao, Zihe (2020). Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2. Protein and Cell, 11 (7), 505-517. doi: 10.1007/s13238-020-00726-6

Sulfide, sulfoxide and sulfone bridged acyclic nucleoside phosphonates as inhibitors of the Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases: synthesis and evaluation

Klejch, Tomáš, Keough, Dianne T., Chavchich, Marina, Travis, Jye, Skácel, Jan, Pohl, Radek, Janeba, Zlatko, Edstein, Michael D., Avery, Vicky M., Guddat, Luke W. and Hocková, Dana (2019). Sulfide, sulfoxide and sulfone bridged acyclic nucleoside phosphonates as inhibitors of the Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases: synthesis and evaluation. European Journal of Medicinal Chemistry, 183 111667, 111667. doi: 10.1016/j.ejmech.2019.111667

Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis

Feder, Daniel, Kan, Meng-Wei, Hussein, Waleed M., Guddat, Luke W., Schenk, Gerhard and McGeary, Ross P. (2019). Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis. European Journal of Medicinal Chemistry, 182 111611, 111611. doi: 10.1016/j.ejmech.2019.111611

Mycobacterial dynamin-like protein IniA mediates membrane fission

Wang, Manfu, Guo, Xiangyang, Yang, Xiuna, Zhang, Bing, Ren, Jie, Liu, Aijun, Ran, Yajun, Yan, Bing, Chen, Fang, Guddat, Luke W., Hu, Junjie, Li, Jun and Rao, Zihe (2019). Mycobacterial dynamin-like protein IniA mediates membrane fission. Nature Communications, 10 (1) 3906, 3906. doi: 10.1038/s41467-019-11860-z

Crystal structures of Trypanosoma brucei hypoxanthine – guanine – xanthine phosphoribosyltransferase in complex with IMP , GMP and XMP

Terán, David, Doleželová, Eva, Keough, Dianne T., Hocková, Dana, Zíková, Alena and Guddat, Luke W. (2019). Crystal structures of Trypanosoma brucei hypoxanthine – guanine – xanthine phosphoribosyltransferase in complex with IMP , GMP and XMP. The FEBS Journal, 286 (23) febs.14987, 4721-4736. doi: 10.1111/febs.14987

The binding mode of an ADP analogue to a metallohydrolase mimics the likely transition state

Feder, Daniel, Gahan, Lawrence R., McGeary, Ross P., Guddat, Luke W. and Schenk, Gerhard (2019). The binding mode of an ADP analogue to a metallohydrolase mimics the likely transition state. ChemBioChem, 20 (12), 1536-1540. doi: 10.1002/cbic.201900077

Relative catalytic efficiencies and transcript levels of three D‐ and two L‐lactate dehydrogenases for optically pure D‐lactate production in Sporolactobacillus inulinus

Wu, Bin, Yu, Qi, Zheng, Shan, Pedroso, Marcelo Monteiro, Guddat, Luke W., He, Bingfang and Schenk, Gerhard (2019). Relative catalytic efficiencies and transcript levels of three D‐ and two L‐lactate dehydrogenases for optically pure D‐lactate production in Sporolactobacillus inulinus. MicrobiologyOpen, 8 (5) e00704, e00704. doi: 10.1002/mbo3.704

Discovery and evaluation of novel Mycobacterium tuberculosis ketol-acid reductoisomerase inhibitors as therapeutic drug leads

Krishna, Vagolu Siva, Zheng, Shan, Rekha, Estharla Madhu, Guddat, Luke W. and Sriram, Dharmarajan (2019). Discovery and evaluation of novel Mycobacterium tuberculosis ketol-acid reductoisomerase inhibitors as therapeutic drug leads. Journal of Computer-Aided Molecular Design, 33 (3), 357-366. doi: 10.1007/s10822-019-00184-1

Synthesis of the seco-limonoid BCD ring system identifies a Hsp90 chaperon machinery (p23) inhibitor

Pinkerton, David M., Chow, Sharon, Eisa, Nada H., Kainth, Kashish, Vanden Berg, Timothy J., Burns, Jed M., Guddat, Luke W., Savage, G. Paul, Chadli, Ahmed and Williams, Craig M. (2019). Synthesis of the seco-limonoid BCD ring system identifies a Hsp90 chaperon machinery (p23) inhibitor. Chemistry - A European Journal, 25 (6), 1451-1455. doi: 10.1002/chem.201805420

Crystal structures of membrane transporter MmpL3, an Anti-TB drug target

Zhang, Bing, Li, Jun, Yang, Xiaolin, Wu, Lijie, Zhang, Jia, Yang, Yang, Zhao, Yao, Zhang, Lu, Yang, Xiuna, Yang, Xiaobao, Cheng, Xi, Liu, Zhijie, Jiang, Biao, Jiang, Hualiang, Guddat, Luke W., Yang, Haitao and Rao, Zihe (2019). Crystal structures of membrane transporter MmpL3, an Anti-TB drug target. Cell, 176 (3), 636-648.e13. doi: 10.1016/j.cell.2019.01.003

Structural insights into substrate recognition by the type VII secretion system

Wang, Shuhui, Zhou, Kaixuan, Yang, Xiaolin, Zhang, Bing, Zhao, Yao, Xiao, Yu, Yang, Xiuna, Yang, Haitao, Guddat, Luke W., Li, Jun and Rao, Zihe (2019). Structural insights into substrate recognition by the type VII secretion system. Protein and Cell, 11 (2), 124-137. doi: 10.1007/s13238-019-00671-z

Synthesis and evaluation of novel purple acid phosphatase inhibitors

Hussein, Waleed M., Feder, Daniel, Schenk, Gerhard, Guddat, Luke W. and McGeary, Ross P. (2019). Synthesis and evaluation of novel purple acid phosphatase inhibitors. MedChemComm, 10 (1), 61-71. doi: 10.1039/c8md00491a

An electron transfer path connects subunits of a mycobacterial respiratory supercomplex

Gong, Hongri, Li, Jun, Xu, Ao, Tang, Yanting, Ji, Wenxin, Gao, Ruogu, Wang, Shuhui, Yu, Lu, Tian, Changlin, Li, Jingwen, Yen, Hsin-Yung, Lam, Sin Man, Shui, Guanghou, Yang, Xiuna, Sun, Yuna, Li, Xuemei, Jia, Minze, Yang, Cheng, Jiang, Biao, Lou, Zhiyong, Robinson, Carol V., Wong, Luet-Lok, Guddat, Luke W., Sun, Fei, Wang, Quan and Rao, Zihe (2018). An electron transfer path connects subunits of a mycobacterial respiratory supercomplex. Science, 362 (6418) eaat8923, eaat8923-+. doi: 10.1126/science.aat8923

Pyrrolidine nucleoside bisphosphonates as antituberculosis agents targeting hypoxanthine-guanine phosphoribosyltransferase

Eng, Wai Soon, Rejman, Dominik, Pohl, Radek, West, Nicholas P., Woods, Kyra, Naesens, Lieve M.J., Keough, Dianne T. and Guddat, Luke W. (2018). Pyrrolidine nucleoside bisphosphonates as antituberculosis agents targeting hypoxanthine-guanine phosphoribosyltransferase. European Journal of Medicinal Chemistry, 159, 10-22. doi: 10.1016/j.ejmech.2018.09.039

Engineering highly functional thermostable proteins using ancestral sequence reconstruction

Gumulya, Yosephin, Baek, Jong-Min, Wun, Shun-Jie, Thomson, Raine E. S., Harris, Kurt L., Hunter, Dominic J. B., Behrendorff, James B. Y. H., Kulig, Justyna, Zheng, Shan, Wu, Xueming, Wu, Bin, Stok, Jeanette E., De Voss, James J., Schenk, Gerhard, Jurva, Ulrik, Andersson, Shalini, Isin, Emre M., Bodén, Mikael, Guddat, Luke and Gillam, Elizabeth M. J. (2018). Engineering highly functional thermostable proteins using ancestral sequence reconstruction. Nature Catalysis, 1 (11), 878-888. doi: 10.1038/s41929-018-0159-5

Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections

Garcia, Mario D., Chua, Sheena M. H., Low, Yu-Shang, Lee, Yu-Ting, Agnew-Francis, Kylie, Wang, Jian-Guo, Nouwens, Amanda, Lonhienne, Thierry, Williams, Craig M., Fraser, James A. and Guddat, Luke W. (2018). Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proceedings of the National Academy of Sciences of the United States of America, 115 (41), E9649-E9658. doi: 10.1073/pnas.1809422115

Acyclic nucleoside phosphonates with unnatural nucleobases, favipiravir and allopurinol, designed as potential inhibitors of the human and Plasmodium falciparum 6-oxopurine phosphoribosyltransferases

Klejch, Tomáš, Pohl, Radek, Janeba, Zlatko, Sun, Minghan, Keough, Dianne T., Guddat, Luke W. and Hocková, Dana (2018). Acyclic nucleoside phosphonates with unnatural nucleobases, favipiravir and allopurinol, designed as potential inhibitors of the human and Plasmodium falciparum 6-oxopurine phosphoribosyltransferases. Tetrahedron, 74 (40), 5886-5897. doi: 10.1016/j.tet.2018.08.014

Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics

Hussein, Waleed M., Feder, Daniel, Schenk, Gerhard, Guddat, Luke W. and McGeary, Ross P. (2018). Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics. European Journal of Medicinal Chemistry, 157, 462-479. doi: 10.1016/j.ejmech.2018.08.004

Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery

Doleželová, Eva, Terán, David, Gahura, Ondřej, Kotrbová, Zuzana, Procházková, Michaela, Keough, Dianne, Špaček, Petr, Hocková, Dana, Guddat, Luke and Zíková, Alena (2018). Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery. PLoS Neglected Tropical Diseases, 12 (2) e0006301, 1-28. doi: 10.1371/journal.pntd.0006301

Processivity and enzymatic mechanism of a multifunctional family 5 endoglucanase from Bacillus subtilis BS-5 with potential applications in the saccharification of cellulosic substrates

Wu, Bin, Zheng, Shan, Pedroso, Marcelo Monteiro, Guddat, Luke W., Chang, Siyuan, He, Bingfang and Schenk, Gerhard (2018). Processivity and enzymatic mechanism of a multifunctional family 5 endoglucanase from Bacillus subtilis BS-5 with potential applications in the saccharification of cellulosic substrates. Biotechnology for Biofuels, 11 (1) 20, 1-15. doi: 10.1186/s13068-018-1022-2

Structural insights into the mechanism of inhibition of AHAS by herbicides

Lonhienne, Thierry, Garcia, Mario D., Pierens, Gregory, Mobli, Mehdi, Nouwens, Amanda and Guddat, Luke W. (2018). Structural insights into the mechanism of inhibition of AHAS by herbicides. Proceedings of the National Academy of Sciences of the United States of America, 115 (9), E1945-E1954. doi: 10.1073/pnas.1714392115

Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target

Zhang, Qingqing, Liu, Huijuan, Liu, Xiang, Jiang, Dunquan, Zhang, Bingjie, Tian, Hongliang, Yang, Cheng, Guddat, Luke W., Yang, Haitao, Mi, Kaixia and Rao, Zihe (2018). Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target. Protein and Cell, 9 (11), 1-5. doi: 10.1007/s13238-017-0502-7

Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity

Patel, Khushboo, Teran, David, Zheng, Shan, Kandale, Ajit, Garcia, Mario, Lv, You, Schembri, Mark A, McGeary, Ross P, Schenk, Gerhard and Guddat, Luke William (2017). Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. Chemistry- A European Journal, 23 (72), 18289-18295. doi: 10.1002/chem.201704481

High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism

Lonhienne, Thierry, Garcia, Mario D., Noble, Chris, Harmer, Jeffrey, Fraser, James A., Williams, Craig M. and Guddat, Luke W. (2017). High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism. Chemistryselect, 2 (36), 11981-11988. doi: 10.1002/slct.201702128

Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics

Keough, Dianne T., Rejman, Dominik, Pohl, Radek, Zborníková, Eva, Hocková, Dana, Croll, Tristan, Edstein, Michael D., Birrell, Geoff W., Chavchich, Marina, Naesens, Lieve M. J., Pierens, Gregory K., Brereton, Ian M. and Guddat, Luke W. (2017). Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics. ACS Chemical Biology, 13 (1), 82-90. doi: 10.1021/acschembio.7b00916

Deacidification of grass silage press juice by continuous production of acetoin from its lactate via an immobilized enzymatic reaction cascade

Hohagen, Hendrik, Schwarz, Dominik, Schenk, Gerhard, Guddat, Luke W., Schieder, Doris, Carsten, Jörg and Sieber, Volker (2017). Deacidification of grass silage press juice by continuous production of acetoin from its lactate via an immobilized enzymatic reaction cascade. Bioresource Technology, 245 (Pt A), 1084-1092. doi: 10.1016/j.biortech.2017.08.203

Structural insight into the activation of PknI kinase from M. tuberculosis via dimerization of the extracellular sensor domain

Yan, Qiaoling, Jiang, Dunquan, Qian, Lanfang, Zhang, Qingqing, Zhang, Wei, Zhou, Weihong, Mi, Kaixia, Guddat, Luke, Yang, Haitao and Rao, Zihe (2017). Structural insight into the activation of PknI kinase from M. tuberculosis via dimerization of the extracellular sensor domain. Structure, 25 (8), 1286-1294. doi: 10.1016/j.str.2017.06.010

Acyclic nucleoside phosphonates containing 9-deazahypoxanthine and a five-membered heterocycle as selective inhibitors of plasmodial 6-oxopurine phosphoribosyltransferases

Kaiser, Martin Maxmilian, Baszczynski, Ondrej, Hockova, Dana, Postova-Slavetinska, Lenka, Dracinsky, Martin, Keough, Dianne T., Guddat, Luke W. and Janeba, Zlatko (2017). Acyclic nucleoside phosphonates containing 9-deazahypoxanthine and a five-membered heterocycle as selective inhibitors of plasmodial 6-oxopurine phosphoribosyltransferases. ChemMedChem, 12 (14), 1133-1141. doi: 10.1002/cmdc.201700293

High resolution crystal structure of a fluoride-inhibited organophosphate-degrading metallohydrolase

Selleck, Christopher , Guddat, Luke W., Ollis, David L., Schenk, Gerhard and Pedroso, Marcelo Monteiro (2017). High resolution crystal structure of a fluoride-inhibited organophosphate-degrading metallohydrolase. Journal of Inorganic Biochemistry, 177, 287-290. doi: 10.1016/j.jinorgbio.2017.06.013

Synthesis and evaluation of symmetric acyclic nucleoside bisphosphonates as inhibitors of the Plasmodium falciparum, Plasmodium vivax and human 6-oxopurine phosphoribosyltransferases and the antimalarial activity of their prodrugs

Spacek, Petr, Keough, Dianne T., Chavchich, Marina, Dracinsky, Martin, Janeba, Zlatko, Naesens, Lieve, Edstein, Michael D., Guddat, Luke W. and Hockova, Dana (2017). Synthesis and evaluation of symmetric acyclic nucleoside bisphosphonates as inhibitors of the Plasmodium falciparum, Plasmodium vivax and human 6-oxopurine phosphoribosyltransferases and the antimalarial activity of their prodrugs. Bioorganic & Medicinal Chemistry, 25 (15), 4008-4030. doi: 10.1016/j.bmc.2017.05.048

Crystal structure of plant acetohydroxyacid synthase, the target for several commercial herbicides

Garcia, Mario Daniel, Wang, Jian-Guo, Lonhienne, Thierry and Guddat, Luke William (2017). Crystal structure of plant acetohydroxyacid synthase, the target for several commercial herbicides. The FEBS Journal, 284 (13), 2037-2051. doi: 10.1111/febs.14102

Oligomeric state of hypoxanthine-guanine phosphoribosyltransferase from Mycobacterium tuberculosis

Eng, Wai Soon, Keough, Dianne T., Hockova, Dana, Winzor, Donald J. and Guddat, Luke W. (2017). Oligomeric state of hypoxanthine-guanine phosphoribosyltransferase from Mycobacterium tuberculosis. Biochimie, 135, 6-14. doi: 10.1016/j.biochi.2016.12.020

The role of a FAD cofactor in the regulation of acetohydroxyacid synthase by redox signaling molecules

Lonhienne, Thierry, Garcia, Mario D. and Guddat, Luke W. (2017). The role of a FAD cofactor in the regulation of acetohydroxyacid synthase by redox signaling molecules. Journal of Biological Chemistry, 292 (12), 5101-5109. doi: 10.1074/jbc.M116.773242

Visualization of the reaction trajectory and transition state in a hydrolytic reaction catalyzed by a metalloenzyme

Selleck, Christopher, Clayton, Daniel, Gahan, Lawrence R., Mitic, Nataša, McGeary, Ross P., Pedroso, Marcelo Monteiro, Guddat, Luke W. and Schenk, Gerhard (2017). Visualization of the reaction trajectory and transition state in a hydrolytic reaction catalyzed by a metalloenzyme. Chemistry: A European Journal, 23 (20), 4778-4781. doi: 10.1002/chem.201700866

Novel nucleotide analogues bearing (1H-1,2,3-triazol-4-yl)phosphonic acid moiety as inhibitors of Plasmodium and human 6-oxopurine phosphoribosyltransferases

Lukáč, Miloš, Hocková, Dana, Keough, Dianne T., Guddat, Luke W. and Janeba, Zlatko (2017). Novel nucleotide analogues bearing (1H-1,2,3-triazol-4-yl)phosphonic acid moiety as inhibitors of Plasmodium and human 6-oxopurine phosphoribosyltransferases. Tetrahedron, 73 (6), 692-702. doi: 10.1016/j.tet.2016.12.046

The 2.0 Å X-ray structure for yeast acetohydroxyacid synthase provides new insights into its cofactor and quaternary structure requirements

Lonhienne, Thierry, Garcia, Mario D., Fraser, James A., Williams, Craig M. and Guddat, Luke W. (2017). The 2.0 Å X-ray structure for yeast acetohydroxyacid synthase provides new insights into its cofactor and quaternary structure requirements. PLoS One, 12 (2) e0171443, e0171443.1-e0171443.13. doi: 10.1371/journal.pone.0171443

Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families

Garcia, Mario D., Nouwens, Amanda, Lonhienne, Thierry G. and Guddat, Luke W. (2017). Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families. Proceedings of the National Academy of Sciences, 114 (7), E1091-E1100. doi: 10.1073/pnas.1616142114

Synthesis and Evaluation of Asymmetric Acyclic Nucleoside Bisphosphonates as Inhibitors of Plasmodium falciparum and Human Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase

Špaček, Petr, Keough, Dianne T., Chavchich, Marina, Dračínský, Martin, Janeba, Zlatko, Naesens, Lieve, Edstein, Michael D., Guddat, Luke W. and Hocková, Dana (2017). Synthesis and Evaluation of Asymmetric Acyclic Nucleoside Bisphosphonates as Inhibitors of Plasmodium falciparum and Human Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase. Journal of Medicinal Chemistry, 60 (17), 7539-7554. doi: 10.1021/acs.jmedchem.7b00926

AIM-1: an antibiotic-degrading metallohydrolase that displays mechanistic flexibility

Selleck, Christopher, Larrabee James A., Harmer, Jeffrey, Guddat, Luke W., Mitić, Natasa, Helweh, Waleed, Ollis, David L., Craig, Whitney R., Tierney, David L., Monteiro Pedroso, Marcelo and Schenk, Gerhard (2016). AIM-1: an antibiotic-degrading metallohydrolase that displays mechanistic flexibility. Chemistry, 22 (49), 17704-17714. doi: 10.1002/chem.201602762

Crystal structures of acyclic nucleoside phosphonates in complex with Escherichia coli hypoxanthine phosphoribosyltransferase

Eng, Wai Soon, Hocková, Dana, Špaček, Petr, Baszczyňski, Ondřej, Janeba, Zlatko, Naesens, Lieve, Keough, Dianne T. and Guddat, Luke W. (2016). Crystal structures of acyclic nucleoside phosphonates in complex with Escherichia coli hypoxanthine phosphoribosyltransferase. ChemistrySelect, 1 (19), 6267-6276. doi: 10.1002/slct.201601679

Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase

Teran, David, Hockova, Dana, Cesnek, Micha, Zikova, Alena, Naesens, Lieve, Keough, Dianne T. and Guddat, Luke W. (2016). Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase. Scientific Reports, 6 (1) 35894, 35894. doi: 10.1038/srep35894

New strategies to combat tuberculosis

Schenk, Gerhard and Guddat, Luke W. (2016). New strategies to combat tuberculosis. Australasian Biotechnology, 26 (3), 52-53.

Metal ions play an essential catalytic role in the mechanism of ketol-acid reductoisomerase

Tadrowski, Sonya, Pedroso, Marcelo M., Sieber, Volker, Larrabee, James A., Guddat, Luke W. and Schenk, Gerhard (2016). Metal ions play an essential catalytic role in the mechanism of ketol-acid reductoisomerase. Chemistry, 22 (22), 7427-7436. doi: 10.1002/chem.201600620

Characterization and structural analysis of a potent anticoagulant phospholipase A2 from Pseudechis australis snake venom

Du, Qianyun Sharon, Trabi, Manuela, Richards, Renee Stirling, Mirtschin, Peter, Madaras, Frank, Nouwens, Amanda, Zhao, Kong-Nan, De Jersey, John, Lavin, Martin F., Guddat, Luke W. and Masci, Paul P. (2016). Characterization and structural analysis of a potent anticoagulant phospholipase A2 from Pseudechis australis snake venom. Toxicon, 111, 37-49. doi: 10.1016/j.toxicon.2015.12.017

Commercial herbicides can trigger the oxidative inactivation of acetohydroxyacid synthase

Lonhienne, Thierry, Nouwens, Amanda, Williams, Craig M., Fraser, James A., Lee, Yu-Ting, West, Nicholas P. and Guddat, Luke W. (2016). Commercial herbicides can trigger the oxidative inactivation of acetohydroxyacid synthase. Angewandte Chemie, 128 (13), 4319-4323. doi: 10.1002/ange.201511985

Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase at 1.0 Å resolution: A potential target for anti-tuberculosis drug discovery

You, Lv, Kandale, Ajit, Wun, Shun Jie, McGeary, Ross P., Williams, Simon J., Kobe, Bostjan, Sieber, Volker, Schembri, Mark A., Schenk, Gerhard and Guddat, Luke W. (2016). Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase at 1.0 Å resolution: A potential target for anti-tuberculosis drug discovery. Febs Journal, 283 (7), 1184-1196. doi: 10.1111/febs.13672

Commercial Herbicides Can Trigger the Oxidative Inactivation of Acetohydroxyacid Synthase

Lonhienne, Thierry, Nouwens, Amanda, Williams, Craig M., Fraser, James A., Lee, Yu-Ting, West, Nicholas P. and Guddat, Luke W. (2016). Commercial Herbicides Can Trigger the Oxidative Inactivation of Acetohydroxyacid Synthase. Angewandte Chemie - International Edition, 55 (13), 4247-4251. doi: 10.1002/anie.201511985

Synthesis and evaluation of novel acyclic nucleoside phosphonates as inhibitors of Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases

Kaiser, Martin M., Hocková, Dana, Wang, Tzu-Hsuan, Dračínský, Martin, Poštová-Slavětínská, Lenka, Procházková, Eliška, Edstein, Michael D., Chavchich, Marina, Keough, Dianne T., Guddat, Luke W. and Janeba, Zlatko (2015). Synthesis and evaluation of novel acyclic nucleoside phosphonates as inhibitors of Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases. ChemMedChem, 10 (10), 1707-1723. doi: 10.1002/cmdc.201500322

Antimalarial activity of prodrugs of N-branched acyclic nucleoside phosphonate inhibitors of 6-oxopurine phosphoribosyltransferases

Hockova, Dana, Janeba, Zlatko, Naesens, Lieve, Edstein, Michael D., Chavchich, Marina, Keough, Dianne T. and Guddat, Luke W. (2015). Antimalarial activity of prodrugs of N-branched acyclic nucleoside phosphonate inhibitors of 6-oxopurine phosphoribosyltransferases. Bioorganic and Medicinal Chemistry, 23 (17), 5502-5510. doi: 10.1016/j.bmc.2015.07.038

First crystal structures of mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase: complexes with GMP and pyrophosphate and with acyclic nucleoside phosphonates ehose prodrugs have antituberculosis activity

Eng, Wai Soon, Hockova, Dana, Spacek, Petr, Janeba, Zlatko, West, Nicholas P., Woods, Kyra, Naesens, Lieve M. J., Keough, Dianne T. and Guddat, Luke W. (2015). First crystal structures of mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase: complexes with GMP and pyrophosphate and with acyclic nucleoside phosphonates ehose prodrugs have antituberculosis activity. Journal of Medicinal Chemistry, 58 (11), 4822-4838. doi: 10.1021/acs.jmedchem.5b00611

Synthesis, conformational studies, and biological properties of phosphonomethoxyethyl derivatives of nucleobases with a locked conformation via a pyrrolidine ring

Pohl, Radek, Slavetinska, Lenka Postova, Eng, Wai Soon, Keough, Dianne T., Guddat, Luke W. and Rejman, Dominik (2015). Synthesis, conformational studies, and biological properties of phosphonomethoxyethyl derivatives of nucleobases with a locked conformation via a pyrrolidine ring. Organic and Biomolecular Chemistry, 13 (16), 4693-4705. doi: 10.1039/c5ob00097a

Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their prodrugs as antimalarial agents

Keough, Dianne T., Hockova, Dana, Janeba, Zlatko, Wang, Tzu-Hsuan, Naesens, Lieve, Edstein, Michael D., Chavchich, Marina and Guddat, Luke W. (2015). Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their prodrugs as antimalarial agents. Journal of Medicinal Chemistry, 58 (2), 827-846. doi: 10.1021/jm501416t

The applications of binuclear metallohydrolases in medicine: recent advances in the design and development of novel drug leads for purple acid phosphatases, metallo-beta-lactamases and arginases

McGeary, Ross P., Schenk, Gerhard and Guddat, Luke W. (2014). The applications of binuclear metallohydrolases in medicine: recent advances in the design and development of novel drug leads for purple acid phosphatases, metallo-beta-lactamases and arginases. European Journal of Medicinal Chemistry, 76, 132-144. doi: 10.1016/j.ejmech.2014.02.008

Determination of the catalytic activity of binuclear metallohydrolases using isothermal titration calorimetry

Pedroso, Marcelo M., Ely, Fernanda, Lonhienne, Thierry, Gahan, Lawrence R., Ollis, David L., Guddat, Luke W. and Schenk, Gerhard (2014). Determination of the catalytic activity of binuclear metallohydrolases using isothermal titration calorimetry. Journal of Biological Inorganic Chemistry, 19 (3), 389-398. doi: 10.1007/s00775-013-1079-0

International Year of Crystallography

Batten, Stuart R., Kobe, Bostjan and Guddat, Luke (2014). International Year of Crystallography. Australian Journal of Chemistry, 67 (12), 1718-1719. doi: 10.1071/CH14557

Role of human hypoxanthine guanine phosphoribosyltransferase in activation of the antiviral agent T-705 (favipiravir)

Naesens, Lieve, Guddat, Luke W., Keough, Dianne T., van Kuilenburg, André B. P., Meijer, Judith, Vande Voorde, Johan and Balzarini, Jan (2013). Role of human hypoxanthine guanine phosphoribosyltransferase in activation of the antiviral agent T-705 (favipiravir). Molecular Pharmacology, 84 (4), 615-629. doi: 10.1124/mol.113.087247

Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents

Keough, Dianne T., Hocková, Dana, Rejman, Dominik, Spaček, Petr, Vrbková, Silvie, Krečmerová, Marcela, Eng, Wai Soon, Jans, Harmen, West, Nicholas P., Naesens, Lieve M. J., de Jersey, John and Guddat, Luke W. (2013). Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents. Journal of Medicinal Chemistry, 56 (17), 6967-6984. doi: 10.1021/jm400779n

The effect of novel [3-fluoro-(2-phosphonoethoxy)propyl]purines on the inhibition of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases

Baszczynski, Ondrej, Hockova, Dana, Janeba, Zlatko, Holy, Antonin, Jansa, Petr, Dracinsky, Martin, Keough, Dianne T. and Guddat, Luke W. (2013). The effect of novel [3-fluoro-(2-phosphonoethoxy)propyl]purines on the inhibition of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases. European Journal of Medicinal Chemistry, 67, 81-89. doi: 10.1016/j.ejmech.2013.06.032

Acetohydroxyacid synthase: A target for antimicrobial drug discovery

Pue, Nason and Guddat, Luke W. (2013). Acetohydroxyacid synthase: A target for antimicrobial drug discovery. Current Pharmaceutical Design, 19 (5), 1-17. doi: 10.2174/13816128113199990009

Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity

Keough, Dianne T., Špaček, Petr, Hocková, Dana, Tichý, Tomáš, Vrbková, Silvie, Slavětínská, Lenka, Janeba, Zlatko, Naesens, Lieve, Edstein, Michael D., Chavchich, Marina, Wang, Tzu-Hsuan, de Jersey, John and Guddat, Luke W. (2013). Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity. Journal of Medicinal Chemistry, 56 (6), 2513-2526. doi: 10.1021/jm301893b

Sulfonylureas have antifungal activity and are potent inhibitors of Candida albicans acetohydroxyacid synthase

Lee, Yu-Ting, Cui, Chang-Jun, Chow, Eve W. L., Pue, Nason, Lonhienne, Thierry, Wang, Jian-Guo, Fraser, James A. and Guddat, Luke W. (2013). Sulfonylureas have antifungal activity and are potent inhibitors of Candida albicans acetohydroxyacid synthase. Journal of Medicinal Chemistry, 56 (1), 210-219. doi: 10.1021/jm301501k

The structure of human microplasmin in complex with textilinin-1, an aprotinin-like inhibitor from the Australian brown snake

Millers, Emma-Karin I., Johnson, Lambro A., Birrell, Geoff W., Masci, Paul P., Lavin, Martin F., de Jersey, John and Guddat, Luke W. (2013). The structure of human microplasmin in complex with textilinin-1, an aprotinin-like inhibitor from the Australian brown snake. PLoS One, 8 (1) e54104, e54104.1-e54104.12. doi: 10.1371/journal.pone.0054104

Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics

Feder, Daniel, Hussein, Waleed M., Clayton, Daniel J., Kan, Meng-Wei, Schenk, Gerhard, McGeary, Ross P. and Guddat, Luke W. (2012). Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics. Chemical Biology and Drug Design, 80 (5), 665-674. doi: 10.1111/cbdd.12001

Bacterial and plant ketol-acid reductoisomerases have different mechanisms of induced fit during the catalytic cycle

Wong, Sze-Ho, Lonhienne, Thierry G. A., Winzor, Donald J., Schenk, Gerhard and Guddat, Luke W. (2012). Bacterial and plant ketol-acid reductoisomerases have different mechanisms of induced fit during the catalytic cycle. Journal of Molecular Biology, 424 (3-4), 168-179. doi: 10.1016/j.jmb.2012.09.018

Binuclear metallohydrolases: Complex mechanistic strategies for a simple chemical reaction

Schenk, Gerhard, Mitić, Nataša, Gahan, Lawrence R., Ollis, David L., McGeary, Ross P. and Guddat, Luke W. (2012). Binuclear metallohydrolases: Complex mechanistic strategies for a simple chemical reaction. Accounts of Chemical Research, 45 (9), 1593-1603. doi: 10.1021/ar300067g

A focused sulfated glycoconjugate Ugi library for probing heparan sulfate-binding angiogenic growth factors

Liu, Ligong, Li, Caiping, Cochran, Siska, Feder, Daniel, Guddat, Luke W. and Ferro, Vito (2012). A focused sulfated glycoconjugate Ugi library for probing heparan sulfate-binding angiogenic growth factors. Bioorganic & Medicinal Chemistry Letters, 22 (19), 6190-6194. doi: 10.1016/j.bmcl.2012.08.001

Synthesis of novel N-branched acyclic nucleoside phosphonates as potent and selective inhibitors of human, plasmodium falciparum and plasmodium vivax 6-oxopurine phosphoribosyltransferases

Hockova, Dana, Keough, Dianne T., Janeba, Zlatko, Wang, Tzu-Hsuan, de Jersey, John and Guddat, Luke W. (2012). Synthesis of novel N-branched acyclic nucleoside phosphonates as potent and selective inhibitors of human, plasmodium falciparum and plasmodium vivax 6-oxopurine phosphoribosyltransferases. Journal of Medicinal Chemistry, 55 (13), 6209-6223. doi: 10.1021/jm300662d

Penicillin inhibitors of purple acid phosphatase

Faridoon, Hussein, Waleed M., Islam, Nazar Ul, Guddat, Luke W., Schenk, Gerhard and McGeary, Ross P. (2012). Penicillin inhibitors of purple acid phosphatase. Bioorganic and Medicinal Chemistry Letters, 22 (7), 2555-2559. doi: 10.1016/j.bmcl.2012.01.123

The structure-activity relationship in herbicidal monosubstituted sulfonylureas

Li, Zheng-Ming, Ma, Yi, Guddat, Luke, Cheng, Pei-Quan, Wang, Jian-Guo, Pangi, Siew S., Dong, Yu-Hui, Lai, Cheng-Ming, Wang, Ling-Xiu, Jia, Guo-Feng, Li, Yong-Hong, Wang, Su-Hua, Liu, Jie, Zhao, Wei-Guang and Wang, Bao Lei (2012). The structure-activity relationship in herbicidal monosubstituted sulfonylureas. Pest Management Science, 68 (4), 618-628. doi: 10.1002/ps.2305

Synthesis of purine N-9-[2-hydroxy-3-O-(phosphonomethoxy)propyl] derivatives and their side-chain modified analogs as potential antimalarial agents

Krecmerova, Marcela, Dracinsky, Martin, Hockova, Dana, Holy, Antonín, Keough, Dianne T. and Guddat, Luke W. (2012). Synthesis of purine N-9-[2-hydroxy-3-O-(phosphonomethoxy)propyl] derivatives and their side-chain modified analogs as potential antimalarial agents. Bioorganic and Medicinal Chemistry, 20 (3), 1222-1230. doi: 10.1016/j.bmc.2011.12.034

Phosphate-bound structure of an organophosphate-degrading enzyme from Agrobacterium radiobacter

Ely, Fernanda, Pedroso, Marcelo M., Gahan, Lawrence R., Ollis, David L., Guddat, Luke W. and Schenk, Gerhard (2012). Phosphate-bound structure of an organophosphate-degrading enzyme from Agrobacterium radiobacter. Journal of Inorganic Biochemistry, 106 (1), 19-22. doi: 10.1016/j.jinorgbio.2011.09.015

Synthesis of 9-phosphonoalkyl and 9-phosphonoalkoxyalkyl purines: Evaluation of their ability to act as inhibitors of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases

Cesnek, Michael, Hockova, Dana, Holy, Antonín, Dracinsky, Martin, Baszczynski, Ondřej, de Jersey, John, Keough, Dianne T. and Guddat, Luke W. (2011). Synthesis of 9-phosphonoalkyl and 9-phosphonoalkoxyalkyl purines: Evaluation of their ability to act as inhibitors of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases. Bioorganic and Medicinal Chemistry, 20 (2), 1076-1089. doi: 10.1016/j.bmc.2011.11.034

Chemical synthesis, in vitro acetohydroxyacid synthase (AHAS) inhibition, herbicidal activity, and computational studies of isatin derivatives

Wang, Jianguo, Tan, Haizhong, Li, Yonghong, Ma, Yi, Li, Zhengming and Guddat, Luke W. (2011). Chemical synthesis, in vitro acetohydroxyacid synthase (AHAS) inhibition, herbicidal activity, and computational studies of isatin derivatives. Journal of Agricultural and Food Chemistry, 59 (18), 9892-9900. doi: 10.1021/jf2021607

6-Oxopurine phosphoribosyltransferase: A target for the development of antimalarial drugs

de Jersey, John, Holý, Antonín, Hocková, Dana, Naesens, Lieve, Keough, Dianne T. and Guddat, Luke W. (2011). 6-Oxopurine phosphoribosyltransferase: A target for the development of antimalarial drugs. Current Topics in Medicinal Chemistry, 11 (16), 2085-2102. doi: 10.2174/156802611796575911

Drug targets for the treatment of protozoan parasitic diseases

Guddat, L (2011). Drug targets for the treatment of protozoan parasitic diseases. Current Topics in Medicinal Chemistry, 11 (16), 2010-2011. doi: 10.2174/156802611796575920

Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase: A target for anti-malarial chemotherapy

Keough, Dianne T., Hockova, Daná, Krečmerová, Marcela, Česnek, Michal, Holý, Antonín, Naesens, Lieve, Brereton, Ian M., Winzor, Donald J., de Jersey, John and Guddat, Luke W. (2010). Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase: A target for anti-malarial chemotherapy. Molecular and Biochemical Parasitology, 173 (2), 165-169. doi: 10.1016/j.molbiopara.2010.05.018

The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis

Ely, Fernanda, Hadler, Kieran S., Gahan, Lawrence R., Guddat, Luke W., Ollis, David L. and Schenk, Gerhard (2010). The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis. Biochemical Journal, 432 (3), 565-573. doi: 10.1042/BJ20101054

Synthesis of branched 9-[2-(2-phosphonoethoxy)ethyl]purines as a new class of acyclic nucleoside phosphonates which inhibit Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase

Hockova, Dana, Holy, Antonín, Masojidkova, Milena, Keough, Dianne T., de Jersey, John and Guddat, Luke W. (2009). Synthesis of branched 9-[2-(2-phosphonoethoxy)ethyl]purines as a new class of acyclic nucleoside phosphonates which inhibit Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase. Bioorganic & Medicinal Chemistry, 17 (17), 6218-6232. doi: 10.1016/j.bmc.2009.07.044

Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: A new class of antimalarial therapeutics

Keough, Dianne T., Hockova, Dana, Holy, Antonin, Naesens, Lieve M. J., Skinner-Adams, Tina S., de Jersey, John and Guddat, Luke W. (2009). Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: A new class of antimalarial therapeutics. Journal of Medicinal Chemistry, 52 (14), 4391-4399. doi: 10.1021/jm900267n

Crystal structure of textilinin-1, a Kunitz-type serine protease inhibitor from the venom of the Australian common brown snake (Pseudonaja textilis)

Millers, Emma-Karin K., Trabi, Manuela, Masci, Paul P., Lavin, Martin F., de Jersey, John and Guddat, Luke W. (2009). Crystal structure of textilinin-1, a Kunitz-type serine protease inhibitor from the venom of the Australian common brown snake (Pseudonaja textilis). FEBS Journal, 276 (11), 3163-3175. doi: 10.1111/j.1742-4658.2009.07034.x

Conformational changes in a plant ketol-acid reductoisomerase upon Mg2+ and NADPH binding as revealed by two crystal structures

Leung, Eleanor W. W. and Guddat, Luke W. (2009). Conformational changes in a plant ketol-acid reductoisomerase upon Mg2+ and NADPH binding as revealed by two crystal structures. Journal of Molecular Biology, 389 (1), 167-182. doi: 10.1016/j.jmb.2009.04.012

Crystal structures of two novel sulfonylurea herbicides in complex with Arabidopsis thaliana acetohydroxyacid synthase

Wang, Jian-Guo, Lee, Patrick K.-M., Dong, Yu-Hui, Pang, Siew Siew, Duggleby, Ronald G., Li, Zheng-Ming and Guddat, Luke W. (2009). Crystal structures of two novel sulfonylurea herbicides in complex with Arabidopsis thaliana acetohydroxyacid synthase. FEBS Journal, 276 (5), 1282-1290. doi: 10.1111/j.1742-4658.2009.06863.x

Inhibition of purple acid phosphatase with alpha-alkoxynaphthylmethylphosphonic acids

McGeary, Ross P., Vella, Peter, Mak, Jeffery Y. W., Guddat, Luke W. and Schenk, Gerhard (2009). Inhibition of purple acid phosphatase with alpha-alkoxynaphthylmethylphosphonic acids. Bioorganic & Medicinal Chemistry Letters, 19 (1), 163-166. doi: 10.1016/j.bmcl.2008.10.125

Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes

Hadler, K., Tanifum, E.A., Yip, S.H.-C., Mitic, N., Guddat, L.W., Jackson, C.J., Gahan, L.R., Nguyen, K., Carr, P.D., Ollis, D.L., Hengge, A.C., Larrabee, J.A. and Schenk, G. (2008). Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes. Journal of the American Chemical Society, 130 (43), 14129-14138. doi: 10.1021/ja803346w

Identification of a non-purple tartrate-resistant acid phosphatase: An evolutionary link to Ser/Thr protein phosphatases?

Hadler, K.ieran S., Huber, Thomas, Cassady, A. Ian, Weber, Jane, Robinson, Jodie, Burrows, Allan, Kelly, Gregory, Guddat, Luke W., Hume, David A., Schenk, Gerhard and Flanagan, Jack U. (2008). Identification of a non-purple tartrate-resistant acid phosphatase: An evolutionary link to Ser/Thr protein phosphatases?. BMC Research Notes, 1 (1) 78, 1-8. doi: 10.1186/1756-0500-1-78

Crystal structures of a purple acid phosphatase, representing different steps of this enzyme's catalytic cycle

Schenk, Gerhard, Elliott, Tristan W., Leung, Eleanor, Carrington, Lyle E., Mitic, Natasa, Gahan, Lawrence R. and Guddat, Luke W. (2008). Crystal structures of a purple acid phosphatase, representing different steps of this enzyme's catalytic cycle. BMC Structural Biology, 8 (6) 6, 1-13. doi: 10.1186/1472-6807-8-6

Structure and mechanism of inhibition of plant acetohydroxyacid synthase

Duggleby, R.G., McCourt, J.A. and Guddat, Luke W. (2008). Structure and mechanism of inhibition of plant acetohydroxyacid synthase. Plant Physiology and Biochemistry, 2008 (46), 309-324. doi: 10.1016/j.plaphy.2007.12.004

Plant collagenase: Unique collagenolytic activity of cysteine proteases from ginger

Kim, M., Hamilton, S. E., Guddat, L. W. and Overall, C. M. (2007). Plant collagenase: Unique collagenolytic activity of cysteine proteases from ginger. Biochimica Et Biophysica Acta General Subjects, 1770 (12), 1627-1635. doi: 10.1016/j.bbagen.2007.08.003

Structure, function and diversity of plant purple acid phosphatases

Leung, Eleanor W. W., Teixeira, Marina, Guddat, Luke W., Mitić, Natasa and Schenk, Gerhard (2007). Structure, function and diversity of plant purple acid phosphatases. Current Topics in Plant Biology, 8, 21-31.

Lead compounds for antimalarial chemotherapy: Purine base analogs discriminate between human and P-falciparum 6-oxopurine phosphoribosyltransferases

Keough, Dianne T., Skinner-Adams, Tina, Jones, Malcolm K., Ng, Ai-Lin., Brereton, Ian M., Guddat, Luke W. and de Jersey, John (2006). Lead compounds for antimalarial chemotherapy: Purine base analogs discriminate between human and P-falciparum 6-oxopurine phosphoribosyltransferases. Journal of Medicinal Chemistry, 49 (25), 7479-7486. doi: 10.1021/jm061012j

Structure-function relationships in human hypoxanthine-guanine phosphoribosyltransferase (HGPRT) by random mutagenesis

Zheng, Yuan-Zhi, Guddat, Luke, Farlow, Anthony and de Jersey, John (2006). Structure-function relationships in human hypoxanthine-guanine phosphoribosyltransferase (HGPRT) by random mutagenesis. Chemical Research in Chinese Universities, 22 (2), 251-252. doi: 10.1016/S1005-9040(06)60090-1

Crystallization and preliminary X-ray analysis of a Kunitz-type inhibitor, textilinin-1 from Pseudonaja textilis textilis

Millers, E. K. I., Masci, P. P., Lavin, M. F., de Jersey, J. and Guddat, L. W. (2006). Crystallization and preliminary X-ray analysis of a Kunitz-type inhibitor, textilinin-1 from Pseudonaja textilis textilis. Acta Crystallographica Section F: Structural Biology and Crystallization Communications, 62 (Pt 7), 642-645. doi: 10.1107/S1744309106019099

Herbicide-binding Sites Revealed in the Structure of Plant Acetohydroxyacid Synthase

McCourt, J. A., Pang, S. S., King-Scott, J., Guddat, L. W. and Duggleby, R. G. (2006). Herbicide-binding Sites Revealed in the Structure of Plant Acetohydroxyacid Synthase. Proceedings of The National Academy of Sciences of The United States of America, 103 (3), 569-573. doi: 10.1073/pnas.0508701103

Identification and molecular modeling of a novel, plant-like, human purple acid phosphatase

Flanagan, J. U., Cassady, A. I., Schenk, G., Guddat, L. W. and Hume, D. A. (2006). Identification and molecular modeling of a novel, plant-like, human purple acid phosphatase. Gene, 377 (1), 12-20. doi: 10.1016/j.gene.2006.02.031

Inhibition studies of purple acid phosphatases: Implications for the catalytic mechanism

Elliott, T. W., Mitic, N., Gahan, L. R., Guddat, L. W. and Schenk, G. (2006). Inhibition studies of purple acid phosphatases: Implications for the catalytic mechanism. Journal of the Brazilian Chemical Society, 17 (8), 1558-1565. doi: 10.1590/S0103-50532006000800011

Mammalian-like purple acid phosphatases in plants

De Jersey, J., Zheng, Yuan-Zhi, Fan, H. K., Schenk, G., Guddat, L. and Hamilton, S. (2006). Mammalian-like purple acid phosphatases in plants. Chemical Research In Chinese Universities, 22 (2), 263-264. doi: 10.1016/S1005-9040(06)60093-7

The Catalytic Mechanisms of Binuclear Metallohydrolases

Mitic, Natasa, Smith, Sarah J., Neves, Ademir, Guddat, Luke W., Gahan, Lawrence R. and Schenk, Gerhard (2006). The Catalytic Mechanisms of Binuclear Metallohydrolases. Chemical Reviews, 106 (8), 3338-3363. doi: 10.1021/cr050318f

The crystal structure of a bacterial Class II ketol-acid reductolsomerase: Domain conservation and evolution

Tyagi, R., Duquerroy, S., Navaza, J., Guddat, L. W. and Duggleby, R. G. (2005). The crystal structure of a bacterial Class II ketol-acid reductolsomerase: Domain conservation and evolution. Protein Science, 14 (12), 3089-3100. doi: 10.1110/ps.051791305

Structure-activity relationships for a new family of sulfonylurea herbicides

Wang, Jian-Guo, Li, Zheng-Ming, Ma, Zheng-Ming, Wang, Bao-Lei, Jiang, Lin, Pang, Siew Siew, Lee, Yu-Ting, Guddat, Luke W. and Duggleby, Ronald G. (2005). Structure-activity relationships for a new family of sulfonylurea herbicides. Journal of Computer-aided Molecular Design, 19 (11), 801-820. doi: 10.1007/s10822-005-9028-9

Aspartic proteases of Plasmodium falciparum as the target of HIV-1 protease inhibitors - Reply

Skinner-Adams, Tina S., Guddat, Luke W., Gardiner, Donald L., McCarthy, James S. and Andrews, Katherine T. (2005). Aspartic proteases of Plasmodium falciparum as the target of HIV-1 protease inhibitors - Reply. Journal of Infectious Diseases, 191 (8), 1382-1383. doi: 10.1086/428782

Aspartic proteases of Plasmodium falciparum as the target of HIV-1 protease inhibitors [3] (multiple letters)

Savarino, Andrea, Cauda, Roberto, Cassone, Antonio, Skinner-Adams, Tina S., Guddat, Luke W., Gardiner, Donald L., McCarthy, J. James S. and Andrews, Katherine T. (2005). Aspartic proteases of Plasmodium falciparum as the target of HIV-1 protease inhibitors [3] (multiple letters). Journal of Infectious Diseases, 191 (8), 1381-1383. doi: 10.1086/428781

Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase

McCourt, J. A., Pang, S. S., Guddat, L. W. and Duggleby, R. G. (2005). Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44 (7), 2330-2338. doi: 10.1021/bi047980a

Phosphate forms an unusual tripodal complex with the Fe-Mn center of sweet potato purple acid phosphatase

Schenk, G., Gahan, L. R., Carrington, L. E., Mitic, N., Valizadeh, M., Hamilton, S. E., de Jersey, J. and Guddat, L. W. (2005). Phosphate forms an unusual tripodal complex with the Fe-Mn center of sweet potato purple acid phosphatase. Proceedings of The National Academy of Sciences of The United States of America, 102 (2), 273-278. doi: 10.1073/pnas.0407239102

Probing the mechanism of the bifunctional enzyme ketol-acid reductoisomerase by site-directed mutagenesis of the active site

Tyagi, Rajiv, Lee, Yu-Ting, Guddat, Luke W. and Duggleby, Ronald G. (2005). Probing the mechanism of the bifunctional enzyme ketol-acid reductoisomerase by site-directed mutagenesis of the active site. Febs Journal, 272 (2), 593-602. doi: 10.1111/j.1742-4658.2004.04506.x

The crystal structure of free human hypoxanthineguanine phosphoribosyltransferase reveals extensive conformational plasticity throughout the catalytic cycle

Keough, Dianne T., Brereton, Ian M., De Jersey, John and Guddat, Luke W. (2005). The crystal structure of free human hypoxanthineguanine phosphoribosyltransferase reveals extensive conformational plasticity throughout the catalytic cycle. Journal of Molecular Biology, 351 (1), 170-181. doi: 10.1016/j.jmb.2005.05.061

Phosphotyrosyl peptides and analogues as substrates and inhibitors of purple acid phosphatases

Valizadeh, Mohsen, Schenk, Gerhard, Nash, Kevin, Oddie, Geoff W., Guddat, Luke W., Hume, David A., de Jersey, John, Burke, Terrence R. and Hamilton, Susan (2004). Phosphotyrosyl peptides and analogues as substrates and inhibitors of purple acid phosphatases. Archives of Biochemistry And Biophysics, 424 (2), 154-162. doi: 10.1016/j.abb.2004.01.008

Crystallization of Arabidopsis thaliana acetohydroxyacid synthase in complex with the sulfonylurea herbicide chlorimuron ethyl

Pang, S. S., Guddat, L. W. and Duggleby, R. G. (2004). Crystallization of Arabidopsis thaliana acetohydroxyacid synthase in complex with the sulfonylurea herbicide chlorimuron ethyl. Acta Crystallographica Section D: Biological Crystallography, 60 (1), 153-155. doi: 10.1107/S0907444903025423

Facile crystallization of Escherichia coli ketol-acid reductoisomerase

McCourt, J. A., Tyagi, R., Guddat, L. W., Biou, V. and Duggleby, R. G. (2004). Facile crystallization of Escherichia coli ketol-acid reductoisomerase. Acta Crystallographica Section D: Biological Crystallography, 60 (8), 1432-1434. doi: 10.1107/S0907444904012247

The crystal structures of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate

Pang, S. S., Duggleby, R. G., Schowen, R. L. and Guddat, L. W. (2004). The crystal structures of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate. Journal of Biological Chemistry, 279 (3), 2242-2253. doi: 10.1074/jbc.M304038200

Molecular basis of sulfonylurea herbicide inhibition of acetohydroxyacid synthase

Pang, S. S., Guddat, L. W. and Duggleby, R. G. (2003). Molecular basis of sulfonylurea herbicide inhibition of acetohydroxyacid synthase. Journal of Biological Chemistry, 278 (9), 7639-7644. doi: 10.1074/jbc.M211648200

Systematic characterization of mutations in yeast acetohydroxyacid synthase: Interpretation of herbicide-resistance data

Duggleby, Ronald G., Pang, Siew Siew, Yu, Hongqi and Guddat, Luke W. (2003). Systematic characterization of mutations in yeast acetohydroxyacid synthase: Interpretation of herbicide-resistance data. European Journal of Biochemistry, 270 (13), 2895-2904. doi: 10.1046/j.1432-1033.2003.03671.x

Crystal structure of yeast acetohydroxyacid synthase: A target for herbicidal inhibitors

Pang, S. S., Duggleby, R. G. and Guddat, L. W. (2002). Crystal structure of yeast acetohydroxyacid synthase: A target for herbicidal inhibitors. Journal of Molecular Biology, 317 (2), 249-262. doi: 10.1006/jmbi.2001.5419

Crystal structures of free, IMP-, and GMP-bound Escherichia coli hypoxanthine phosphoribosyltransferase

Guddat, L. W., Vos, S., Martin, J. L., Keough, D. T. and De Jersey, J. (2002). Crystal structures of free, IMP-, and GMP-bound Escherichia coli hypoxanthine phosphoribosyltransferase. Protein Science, 11 (7), 1626-1638. doi: 10.1110/ps.0201002

Crystallization of the FAD-independent acetolactate synthase of Klebsiella pneumoniae

Pang, S. S., Guddat, L. W. and Duggleby, R.G. (2002). Crystallization of the FAD-independent acetolactate synthase of Klebsiella pneumoniae. Acta Crystallographica Section D - Biological Crystallography, D58 (7), 1237-1239. doi: 10.1107/S0907444902008132

Structure of CcmG/DsbE at 1.14 angstrom resolution: High-fidelity reducing activity in an indiscriminately oxidizing environment

Edeling, M. A., Guddat, L. W., Fabianek, R. A., Thony-Meyer, L. and Martin, J. L. (2002). Structure of CcmG/DsbE at 1.14 angstrom resolution: High-fidelity reducing activity in an indiscriminately oxidizing environment. Structure, 10 (7), 973-979. doi: 10.1016/S0969-2126(02)00794-3

Three-dimensional structure of an immunoglobulin light-chain dimer with amyloidogenic properties

Bourne, P. C., Ramsland, P. A., Shan, L., Fan, Z. C., DeWitt, C. R., Shultz, B. B., Terzyan, S. S., Moomaw, C. R., Slaughter, C. A., Guddat, L. W. and Edmundson, A. B. (2002). Three-dimensional structure of an immunoglobulin light-chain dimer with amyloidogenic properties. Acta Crystallographica Section D: Biological Crystallography, 58 (5), 815-823. doi: 10.1107/S0907444902004183

Crystallization and preliminary diffraction studies of native and selenomethionine CcmG (CycY, DsbE)

Edeling, M. A., Guddat, L. W., Fabianek, R. A., Halliday, J. A., Jones, A., Thony-Meyer, L. and Martin, J. L. (2001). Crystallization and preliminary diffraction studies of native and selenomethionine CcmG (CycY, DsbE). Acta Crystallographica Section D-Biological Crystallography, D57 (9), 1293-1295. doi: 10.1107/S0907444901009982

Crystallization of the catalytic subunit of Saccharomyces cerevisiae acetohydroyacid synthase

Pang, S. S., Guddat, L. W. and Duggleby, R.G. (2001). Crystallization of the catalytic subunit of Saccharomyces cerevisiae acetohydroyacid synthase. Acta Crystallographica Section D: Biological Crystallography, 57 (9), 1321-1323. doi: 10.1107/S0907444901011635

Structure, function and regulation of tartrate-resistant acid phosphatase

Oddie, G. W., Schenk, G., Angel, N. Z., Walsh, N., Guddat, L. W., deJersey, J., Cassady, A. I., Hamilton, S. E. and Hume, D. A. (2000). Structure, function and regulation of tartrate-resistant acid phosphatase. Bone, 27 (5), 575-584. doi: 10.1016/S8756-3282(00)00368-9

The three-dimensional structure of a complex of a murine Fab (NC10.14) with a potent sweetener (NC174): An illustration of structural diversity in antigen recognition by immunoglobulins

Guddat, Luke W., Shan, Lin, Broomell, Christopher, Ramsland, Paul A., Fan, Zhao-Chang, Anchin, Jerry M., Linthicum, D. Scott and Edmundson, Allen B. (2000). The three-dimensional structure of a complex of a murine Fab (NC10.14) with a potent sweetener (NC174): An illustration of structural diversity in antigen recognition by immunoglobulins. Journal of Molecular Biology, 302 (4), 853-872. doi: 10.1006/jmbi.2000.4083

Identification of mammalian-like purple acid phosphatases in a wide range of plants

Schenk, G., Ge, Y., Guddat, L., Carrington, L. E., Hume, D. A., Hamilton, S. E. and deJersey, J. (2000). Identification of mammalian-like purple acid phosphatases in a wide range of plants. Gene, 250 (1-2), 117-125. doi: 10.1016/S0378-1119(00)00186-4

Crystallization and preliminary X-ray diffraction data for a purple acid phosphastase from sweet potato

Schenk, G., Carrington, L., Hamilton, S. E., De Jersey, J. and Guddat, L. W. (1999). Crystallization and preliminary X-ray diffraction data for a purple acid phosphastase from sweet potato. Acta Crystallographica Section D: Biological Crystallography, 55 (12), 2051-2052. doi: 10.1107/S0907444999012597

Comparison of the three-dimensional structures of a humanized and a chimeric Fab of an anti-γ-interferon antibody

Fan, Zhao-Chang, Shan, Lin, Goldsteen, Benjamin Z., Guddat, Luke W., Thakur, Archana, Landolfi, Nicholas F., Co, Man Sung, Vasquez, Maximiliano, Queen, Cary, Ramsland, Paul A. and Edmundson, Allen B. (1999). Comparison of the three-dimensional structures of a humanized and a chimeric Fab of an anti-γ-interferon antibody. Journal of Molecular Recognition, 12 (1), 19-32. doi: 10.1002/(SICI)1099-1352(199901/02)12:1<19::AID-JMR445>3.0.CO;2-Y

Crystal structure of mammalian purple acid phosphatase

Guddat, L. W., McAlpine, A. S., Hume, D. A., Hamilton, S. E., De Jersey, J. and Martin, J. L. (1999). Crystal structure of mammalian purple acid phosphatase. Structure With Folding & Design, 7 (7), 757-767. doi: 10.1016/S0969-2126(99)80100-2

Crystallization and preliminary X-ray diffraction studies of mammalian purple acid phosphatase

Guddat, L. W., McAlpine, A. S., Hume, D. A., De Jersey, J., Hamilton, S. E. and Martin, J. L. (1999). Crystallization and preliminary X-ray diffraction studies of mammalian purple acid phosphatase. Acta Crystallographica Section D: Biological Crystallography, 55 (8), 1462-1464. doi: 10.1107/S0907444999006241

Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization

Guddat, LW, Bardwell, JCA and Martin, JL (1998). Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization. Structure, 6 (6), 757-767. doi: 10.1016/S0969-2126(98)00077-X

Three-dimensional structure of a human Fab with high affinity for tetanus toxoid

Faber, Catherine, Shan, Lin, Fan, Zhao-Chang, Guddat, Luke W., Furebring, Christina, Ohlin, Mats, Borrebaeck, Carl A.K. and Edmundson, Allen B. (1998). Three-dimensional structure of a human Fab with high affinity for tetanus toxoid. Immunotechnology, 3 (4), 253-270. doi: 10.1016/S1380-2933(97)10003-3

Structural analysis of three His32 mutants of DsbA: Support for an electrostatic role of His32 in DsbA stability

Guddat, LW, Bardwell, JCA, Glockshuber, R, HuberWunderlich, M, Zander, T and Martin, JL (1997). Structural analysis of three His32 mutants of DsbA: Support for an electrostatic role of His32 in DsbA stability. Protein Science, 6 (9), 1893-1900. doi: 10.1002/pro.5560060910

The uncharged surface features surrounding the active site of Escherichia coli DsbA are conserved and are implicated in peptide binding

Guddat, LW, Bardwell, JCA, Zander, T and Martin, JL (1997). The uncharged surface features surrounding the active site of Escherichia coli DsbA are conserved and are implicated in peptide binding. Protein Science, 6 (6), 1148-1156. doi: 10.1002/pro.5560060603

Three-dimensional structure of the alpha-conotoxin GI at 1.2 angstrom resolution

Guddat, LW, Martin, JL, Shan, L, Edmundson, AB and Gray, WR (1996). Three-dimensional structure of the alpha-conotoxin GI at 1.2 angstrom resolution. Biochemistry, 35 (35), 11329-11335. doi: 10.1021/bi960820h

The 1.1 angstrom crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus

Hu, Shu-Hong, Gehrmann, John, Guddat, Luke W., Alewood, Paul F., Craik, David J. and Martin, Jennifer L. (1996). The 1.1 angstrom crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus. Structure, 4 (4), 417-423. doi: 10.1016/S0969-2126(96)00047-0

Crystallographic analysis of antigen-antibody complexes: End-on insertion of ligands in antibodies - CDR3 loops as arbiters

Edmundson, Allen B., Shan, Lin, Fan, Zhao-Chang, Guddat, Luke W., Hanson, B. Leif and Andersen, Kim N. (1996). Crystallographic analysis of antigen-antibody complexes: End-on insertion of ligands in antibodies - CDR3 loops as arbiters. Methods: A Companion to Methods in Enzymology, 9 (3), 542-558. doi: 10.1006/meth.1996.0062

Intramolecular signaling upon complexation

Guddat, L. W., Shan, L., Fan, Z. C., Andersen, K. N., Linthicum, , Rosauer, R., Linthicum, D. S. and Edmundson, A. B. (1995). Intramolecular signaling upon complexation. FASEB Journal, 9 (1), 101-106.

Local and transmitted conformational changes on complexation of an anti-sweetener Fab

Guddat, Luke W., Shan, Lin, Anchin, Jerry M., Linthicum, D. Scott and Edmundson, Allen B. (1994). Local and transmitted conformational changes on complexation of an anti-sweetener Fab. Journal of Molecular Biology, 236 (1), 247-274. doi: 10.1006/jmbi.1994.1133

High resolution structures of the 4–4-20 Fab-fluorescein complex in two solvent systems: effects of solvent on structure and antigen-binding affinity

Herron, J. N., Terry, A. H., Johnston, S., He, X. M., Guddat, L. W., Voss, E. W. and Edmundson, A. B. (1994). High resolution structures of the 4–4-20 Fab-fluorescein complex in two solvent systems: effects of solvent on structure and antigen-binding affinity. Biophysical Journal, 67 (6), 2167-2183. doi: 10.1016/S0006-3495(94)80738-6

Structural aspects of conformational changes in ligand binding by antibody fragments

Edmundson, A. B., Guddat, L. W., Shan, L., Fan, Z. c. and Hanson, B. L. (1994). Structural aspects of conformational changes in ligand binding by antibody fragments. Research in Immunology, 145 (1), 56-61. doi: 10.1016/S0923-2494(94)80045-6

Crystal Structures of Intact IgG Antibodies

Edmundson, Allen B., Guddat, Luke W. and Andersen, Kim N. (1993). Crystal Structures of Intact IgG Antibodies. ImmunoMethods, 3 (3), 197-210. doi: 10.1006/immu.1993.1054

Crystallization of an Fv fragment from a human IgM cryoglobulin by a microseeding technique

Shan, L., Guddat, L. W., Raison, R. L. and Edmundson, A. B. (1993). Crystallization of an Fv fragment from a human IgM cryoglobulin by a microseeding technique. Journal of Crystal Growth, 126 (2-3), 229-244. doi: 10.1016/0022-0248(93)90030-Z

Principles and pitfalls in designing site‐directed peptide ligands

Edmundson, A. B., Harris, D. L., Fan, Z. ‐C, Guddat, L. W., Schley, B. T., Hanson, B. L., Tribbick, G. and Geysen, H. M. (1993). Principles and pitfalls in designing site‐directed peptide ligands. Proteins: Structure, Function, and Bioinformatics, 16 (3), 246-267. doi: 10.1002/prot.340160304

Three-dimensional structure of a human immunoglobulin with a hinge deletion

Guddat, L. W., Herron, J. N. and Edmundson, A. B. (1993). Three-dimensional structure of a human immunoglobulin with a hinge deletion. Proceedings of the National Academy of Sciences of the United States of America, 90 (9), 4271-4275. doi: 10.1073/pnas.90.9.4271

Three-dimensional structure of an Fv from a human IgM immunoglobulin

Fan, Zhao-chang, Shan, Lin, Guddat, Luke W., He, Xiao-min, Gray, William R., Raison, Robert L. and Edmundson, Allen B. (1992). Three-dimensional structure of an Fv from a human IgM immunoglobulin. Journal of Molecular Biology, 228 (1), 188-207. doi: 10.1016/0022-2836(92)90500-J

Difunctionalization of primary aromatic amines with ethylene; synthesis of μ-arylnitrilobis(ethane-2,1-diyl)dimercury(II) complexes. Crystal structure of 2,4,6-Me3C6H2N-(CH2CH2HgCl)2

Deacon, G. B., Gatehouse, B. M., Guddat, L. W. and Ney, S. C. (1989). Difunctionalization of primary aromatic amines with ethylene; synthesis of μ-arylnitrilobis(ethane-2,1-diyl)dimercury(II) complexes. Crystal structure of 2,4,6-Me3C6H2N-(CH2CH2HgCl)2 . Journal of Organometallic Chemistry, 375 (1), C1-C4. doi: 10.1016/0022-328X(89)85095-8

The effect of fast protein liquid chromatography (FPLC) cationic exchange purification on the crystallization of a monoclonal Fab fragment

Orbell, John D., Guddat, Luke W., Machin, Ken J. and Isaacs, Neil W. (1988). The effect of fast protein liquid chromatography (FPLC) cationic exchange purification on the crystallization of a monoclonal Fab fragment. Analytical Biochemistry, 170 (2), 390-392. doi: 10.1016/0003-2697(88)90649-5

CRYSTAL STRUCTURE OF Ba//3V//4O//1//3

Gatehouse, B. M., Guddat, L. W. and Roth, R. S. (1987). CRYSTAL STRUCTURE OF Ba//3V//4O//1//3. CHEMTECH, 17 (8), 390-395.

The crystal structure of Ba3V4O13

Gatehouse, B. M., Guddat, L. W. and Roth, R. S. (1987). The crystal structure of Ba3V4O13. Journal of Solid State Chemistry, 71 (2), 390-395. doi: 10.1016/0022-4596(87)90247-7

Crystal structures of some niobium and tantalum oxides. IX. K3Nb7O19: A new potassium niobium oxide tunnel structure

Fallon, G. D., Gatehouse, B. M. and Guddat, L. (1986). Crystal structures of some niobium and tantalum oxides. IX. K3Nb7O19: A new potassium niobium oxide tunnel structure. Journal of Solid State Chemistry, 61 (2), 181-187. doi: 10.1016/0022-4596(86)90020-4

Crystallization and preliminary crystallographic data of the fab fragment of an anti-phenylalanine hydroxylase monoclonal antibody

Guddat, L. W., Cowan, S. W., Machin, K. J., Isaacs, N. W. and Cotton, R. G H (1985). Crystallization and preliminary crystallographic data of the fab fragment of an anti-phenylalanine hydroxylase monoclonal antibody. Journal of Molecular Biology, 186 (2), 479-480. doi: 10.1016/0022-2836(85)90121-4

Acetohydroxyacid synthase: structure, function, regulation and inhibition

Guddat, Luke W. (2023). Acetohydroxyacid synthase: structure, function, regulation and inhibition. XXVI IUCr Congress, Melbourne, VIC Australia, 22-29 August 2023. Hoboken, NJ United States: Wiley-Blackwell. doi: 10.1107/s2053273323095050

Investigations of Mycobacterium tuberculosis acetohydroxyacid synthases as therapeutic drug targets

Gao, Yanhua, Wu, Shunjie, Lonhienne, Thierry, Lin, Xin and Guddat, Luke (2023). Investigations of Mycobacterium tuberculosis acetohydroxyacid synthases as therapeutic drug targets. XXVI IUCr Congress, Melbourne, VIC Australia, 22-29 August 2023. Hoboken, NJ United States: Wiley-Blackwell. doi: 10.1107/s2053273323085583

Structural basis of resistance to herbicides that target acetohydroxyacid synthase

Cheng, Yan, Lonhienne, Thierry, Garcia, Mario, Hu, Shu Hong, Low, Yu Shang, Schenk, Gerhard, Williams, Craig M. and Guddat, Luke W. (2023). Structural basis of resistance to herbicides that target acetohydroxyacid synthase. XXVI IUCr Congress, Melbourne, VIC Australia, 22-29 August 2023. Hoboken, NJ United States: Wiley-Blackwell. doi: 10.1107/s2053273323085571

Structural investigation of two commercial herbicides that target acetohydroxyacid synthase

Zhao, Qi, Cheng, Yan, Lonhienne, Thierry and Guddat, Luke W. (2023). Structural investigation of two commercial herbicides that target acetohydroxyacid synthase. XXVI IUCr Congress, Melbourne, VIC Australia, 22-29 August 2023. Hoboken, NJ United States: Wiley-Blackwell. doi: 10.1107/s205327332308556x

Targeting acetohydroxyacid synthase to discover new therapeutics for Cryptococcus neoformans infections

Ge, Xiaoling, Lonhienne, Thierry, Garcia, Mario D. and Guddat, Luke W. (2023). Targeting acetohydroxyacid synthase to discover new therapeutics for Cryptococcus neoformans infections. XXVI IUCr Congress, Melbourne, VIC Australia, 22-29 August 2023. Hoboken, NJ United States: Wiley-Blackwell. doi: 10.1107/s2053273323085546

Ketol-acid-reductoisomerase, an emerging target for herbicides and novel antimicrobial agents

Schenk, Gerhard and Guddat, Luke W. (2017). Ketol-acid-reductoisomerase, an emerging target for herbicides and novel antimicrobial agents. 18th International Conference on Biological Inorganic Chemistry (ICBIC), Florianopolis Brazil, 31 July - 4 August 2017. New York, NY United States: Springer.

Inhibition studies of purple acid phosphatases: Implications for the catalytic mechanism

Elliott, Tristan W., Mitić, Nataša, Gahan, Lawrence R., Guddat, Luke W. and Schenk, Gerhard (2006). Inhibition studies of purple acid phosphatases: Implications for the catalytic mechanism. Sociedade Brasileira de Quimica. doi: 10.1590/S0103-50532006000800011

3D structure of the overlapping sulfonylurea and imidazolinone herbicide binding sites in acetohydroxyacid synthase

Duggleby, R.G., McCourt, J. A. and Guddat, L. W. (2005). 3D structure of the overlapping sulfonylurea and imidazolinone herbicide binding sites in acetohydroxyacid synthase. 9th Int Congress on Amino Acids & Proteins, Vienna, 8-12 Aug, 2005.

Crystal structure of Escherichia coli ketol-acid reductoisomerase

Duggleby, R.G., Tyagi, R., Duquerroy, S., Navaza, J. and Guddat, L. W. (2005). Crystal structure of Escherichia coli ketol-acid reductoisomerase. East Coast Protein Meeting, Coffs Harbour, 24-26 June, 2005.

Crystal structure of textilinin-1

Millers, E. I., Masci, P., Lavin, M. F., De Jersey, J. and Guddat, L. W. (2005). Crystal structure of textilinin-1. East Coast Protein Meeting, Coffs Harbour, 24-26 June, 2005.

Elucidation of the binding site for five sulfonylurea herbicides in Arabidopsis thaliana

McCourt, J. A., Pang, S. S., King-Scott, J., Guddat, L. W. and Duggleby, R.G. (2005). Elucidation of the binding site for five sulfonylurea herbicides in Arabidopsis thaliana. 30th Annual Lorne Conference on Protein Structure and Function, Lorne, 6-11 Feb, 2005.

Overlapping sulfonylurea and imidazolinone herbicide binding sites in Arabidopsis thaliana acetohydroxyacid synthase

McCourt, J. A., Pang, S. S., King-Scott, J., Guddat, L. W. and Duggleby, R.G. (2005). Overlapping sulfonylurea and imidazolinone herbicide binding sites in Arabidopsis thaliana acetohydroxyacid synthase. East Coast Protein Meeting, Coffs Harbour, 24-26 June, 2005.

Crystal structure and mechanism of a purple acid phosphatase from sweet potato: an enzyme with a novel Fe-Mn binuclear metal centre

Schenk, G., Carrington, L., Valizadeh, M., De Jersey, J., Hamilton, S. E. and Guddat, L.W. (2003). Crystal structure and mechanism of a purple acid phosphatase from sweet potato: an enzyme with a novel Fe-Mn binuclear metal centre. International Conference on Biological Inorganic Chemistry, Cairns, 19-23 July, 2003.

Molecular basis of sulfonylurea herbicide inhibition of acetohydroxyacid synthase

Pang, S. S., Guddat, L. W. and Duggleby, R.G. (2003). Molecular basis of sulfonylurea herbicide inhibition of acetohydroxyacid synthase. East Coast Protein Meeting, Coffs Harbour, 27-29 June, 2003.

The crystal structures of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate

Duggleby, R.G., Pang, S. S., Schowen, R. L. and Guddat, L. W. (2003). The crystal structures of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate. East Coast Protein Meeting, Coffs Harbour, 27-29 June, 2003.

Substrate analogues discriminate between human and Plasmodium falciparum 6-oxopurine phosphoribosyltransferases

Keough, D. T., Dulley, G., Guddat, L. W., Naesens, L. and De Jersey, J. (2002). Substrate analogues discriminate between human and Plasmodium falciparum 6-oxopurine phosphoribosyltransferases. ComBio 2002, Sydney, 29 September - 3 October, 2002.

Yeast acetohydroxyacid synthase. Crystal structure of an enzyme containing non-catalytic FAD

Pang, S. S., Guddat, L. W. and Duggleby, R.G. (2002). Yeast acetohydroxyacid synthase. Crystal structure of an enzyme containing non-catalytic FAD. 14th Int Symposium on Flavins and Flavoproteins, Cambridge, UK, 14-18 July, 2002.

Structural analysis of the hnRNP A proteins: Understanding the interaction between hnRNP A2 and the A2RE trafficking element

Landsberg, M., Guddat, L. W., Hawkins, B. L. and Smith, R. W. (2001). Structural analysis of the hnRNP A proteins: Understanding the interaction between hnRNP A2 and the A2RE trafficking element. ASBMB, Canberra, 31 Sept-4 Oct, 2001.

Sweet potato purple acid phosphatase: first example of a strongly antiferromagnetically coupled Fe-Mn binuclear centre in a protein

Schenk, G., Boutchard, C., Noble, C. J., Moubaraki, B., Murray, K. S., Hanson, G. R., De Jersey, J., Hamilton, S. E., Guddat, L. W. and Carrington, L. (2000). Sweet potato purple acid phosphatase: first example of a strongly antiferromagnetically coupled Fe-Mn binuclear centre in a protein. EUROBIC-5, Toulouse, France, 17-20 July 2000.

Crystal structure of mammalian purple acid phosphatase: An enzyme with a binuclear metal centre

Guddat, L. W., McAlpine, A. S., Hume, D. A., Hamilton, S. E, De Jersey, J. and Martin, J. L. (1999). Crystal structure of mammalian purple acid phosphatase: An enzyme with a binuclear metal centre. ComBio 99, Conrad Jupiters, Gold Coast, 27-30 September, 1999. Kent Town, SA: Aust. Society for Biochemistry & Molecular Biology.

Crystallisation of a mammalian purple acid phosphatase

Hamilton, S. E., Guddat, L. W., McAlpine, A. S., Hume, D. A., De Jersey, J. and Martin, J. L. (1999). Crystallisation of a mammalian purple acid phosphatase. 24th Annual Lorne Conference on Protein Structure and Functin, Erskine House, Lorne, Vic., 7-11 February, 1999. Lorne: Lorne Aust..

Planrtpurple acid phosphatases: Novel forms of the enzyme

Schenk, G., Carrington, L., Guddat, L. W., De Jersey, J. and Hamilton, S. E. (1999). Planrtpurple acid phosphatases: Novel forms of the enzyme. ComBio 99, Conrad Jupiters, Gold Coast, 27-30 September, 1999. Kent Town, SA: Aust. Society for Biochemistry and Molecular Biology.

Plasmodium Falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase as a chemotherapeutic target: Comparison of the human and parasite enzymes

Dulley, G., Ng, A., Qi, J., Guddat, L. W., Keough, D. T. and De Jersey, J. (1999). Plasmodium Falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase as a chemotherapeutic target: Comparison of the human and parasite enzymes. ComBio 99, Conrad Jupiter, Gold Coast, 27-30 September, 1999. Kent Town, SA: Australian Society for Biochemistry and Molecular Biology.

Genomic resources of seven Australian weed species of national significance

Shah, Sarah, Lonhienne, Thierry, Murray, Cody-Ellen, Chen, Yibi, Dougan, Katherine E., Low, Yu Shang, Williams, Craig M., Schenk, Gerhard, Walter, Gimme H., Guddat, Luke W. and Chan, Cheong Xin (2022). Genomic resources of seven Australian weed species of national significance. The University of Queensland. (Dataset) doi: 10.48610/c22c10c