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2024 Journal Article TMPRSS2 and glycan receptors synergistically facilitate coronavirus entryWang, 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, 187 (16), 4261-4271.e17. doi: 10.1016/j.cell.2024.06.016 |
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2024 Journal Article Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587Zhang, 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 |
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2024 Journal Article Structural characterization of enzymatic interactions with functional nicotinamide cofactor biomimeticsRocha, Raquel A., Wilson, Liam A., Schwartz, Brett D., Warden, Andrew C., Guddat, Luke W., Speight, Robert E., Malins, Lara, Schenk, Gerhard and Scott, Colin (2024). Structural characterization of enzymatic interactions with functional nicotinamide cofactor biomimetics. Catalysts, 14 (7) 399, 1-17. doi: 10.3390/catal14070399 |
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2024 Journal Article Development of prolinol containing inhibitors of hypoxanthine–guanine–xanthine phosphoribosyltransferase: rational structure-based drug designKeough, 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 |
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2024 Journal Article Mapping of the reaction trajectory catalyzed by class I ketol-acid reductoisomeraseLin, 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 |
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2024 Journal Article An oligopeptide permease, OppABCD, requires an iron–sulfur cluster domain for functionalityYang, 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 and Molecular Biology, 31 (7), 1072-1082. doi: 10.1038/s41594-024-01256-z |
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2024 Journal Article Molecular basis for substrate transport of Mycobacterium tuberculosis ABC importer DppABCDHu, 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 |
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2024 Journal Article Targeting the hSSB1-INTS3 interface: a computational screening driven approach to identify potential modulatorsBarbhuiya, 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 |
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2023 Journal Article Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entryWang, 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 |
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2023 Journal Article Structure-activity relationships of bensulfuron methyl and its derivatives as novel agents against drug-resistant Candida aurisSun, 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 |
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2023 Journal Article Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABCLiang, 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 |
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2023 Conference Publication Structural basis of resistance to herbicides that target acetohydroxyacid synthaseCheng, 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 |
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2023 Conference Publication Investigations of Mycobacterium tuberculosis acetohydroxyacid synthases as therapeutic drug targetsGao, 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 |
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2023 Conference Publication Structural investigation of two commercial herbicides that target acetohydroxyacid synthaseZhao, 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 |
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2023 Conference Publication Targeting acetohydroxyacid synthase to discover new therapeutics for Cryptococcus neoformans infectionsGe, 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 |
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2023 Conference Publication Acetohydroxyacid synthase: structure, function, regulation and inhibitionGuddat, 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 |
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2023 Journal Article Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABCLiang, 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 |
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2023 Journal Article N2' ‐branched acyclic nucleoside phosphonates containing 9‐deazahypoxanthine as inhibitors of Plasmodium falciparum 6‐oxopurine phosphoribosyltransferaseVaňková, 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 |
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2023 Journal Article Optimization of an α-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approachesFeder, 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 |
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2023 Journal Article Structure of the human ATP synthaseLai, 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 |
