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2022 Journal Article Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2Zhao, 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 |
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2022 Journal Article Herbicides that inhibit acetolactate synthaseLonhienne, 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 |
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2022 Journal Article Stereo-defined acyclic nucleoside phosphonates are selective and potent inhibitors of parasite 6-oxopurine phosphoribosyltransferasesKlejch, 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 |
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2021 Journal Article Conformational changes in a macrolide antibiotic binding protein from Mycobacterium smegmatis upon ADP bindingZhang, 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 |
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2021 Journal Article 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 |
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2021 Journal Article Triazolopyrimidine herbicides are potent inhibitors of Aspergillus fumigatus acetohydroxyacid synthase and potential antifungal drug leadsLow, 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 |
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2021 Journal Article Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidatesZhou, 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 |
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2021 Journal Article Kinetic and structural characterization of the first B3 metallo-β-lactamase with an active site glutamic acidWilson, 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 |
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2021 Journal Article Rational design of potent inhibitors of a metallohydrolase using a fragment-based approachFeder, 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 |
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2021 Journal Article Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channelsWang, 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 |
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2021 Journal Article 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 activityFrydrych, 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 |
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2021 Journal Article Acyclic nucleoside phosphonates with adenine nucleobase inhibit Trypanosoma brucei adenine phosphoribosyltransferase in vitroDoleželová, 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 |
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2021 Journal Article Coupling of N7-methyltransferase and 3′-5′ exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreadingYan, 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 |
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2021 Other Outputs Structure of mycobacterial cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidatesZhou, Shan, Wang, Weiwei, Zhou, Xiaoting, Zhang, Yuying, Lai, Yuezheng, Tang, Yanting, Xu, Jinxu, Yang, Xiaolin, Guddat, Luke W., Wang, Quan, Gao, Yan, Rao, Zihe and Gong, Hongri (2021). Structure of mycobacterial cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. doi: 10.1101/2021.06.15.448498 |
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2021 Journal Article Helicobacter pylori xanthine-guanine-hypoxanthine phosphoribosyltransferase - a putative target for drug discovery against gastrointestinal tract infectionsKeough, 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 |
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2021 Journal Article High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitorsZhao, 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 |
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2021 Journal Article Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded rieske FeS clusterZhou, 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 |
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2021 Journal Article Discovery of a pyrimidine-dione derivative with potent inhibitory activity against Mycobacterium tuberculosis ketol-acid reductoisomeraseLin, 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 |
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2021 Journal Article Analogues of the herbicide, N-hydroxy-N-isopropyloxamate, inhibit Mycobacterium tuberculosis ketol-acid reductoisomerase and their prodrugs are promising anti-TB drug leadsKandale, 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 |
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2021 Journal Article Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesisYan, 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 |
