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2025 Journal Article In search of herbistasis: COT-metsulfuron methyl displays rare herbistatic propertiesXing, Hui, McGregor, Sarah K. M., Batista, Bruna D., Whitefield, Cassidy, Stone, Isobella S. J., Murray, Cody-Ellen, Hurst, Rebecca M., Liu, Yizhou, Chow, Sharon, Fahrenhorst-Jones, Tyler, Zhao, Qi, Houston, Sevan D., Hu, Shu-Hong, Lonhienne, Thierry, Nouwens, Amanda, Burns, Jed M., Savage, G. Paul, Walter, Gimme H., Guddat, Luke W., Rafter, Michelle A. and Williams, Craig M. (2025). In search of herbistasis: COT-metsulfuron methyl displays rare herbistatic properties. Chemical Science, 16 (2), 649-658. doi: 10.1039/d4sc06923d |
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2024 Journal Article The structural and functional analysis of mycobacteria cysteine desulfurase-loaded encapsulinTang, Yanting, Liu, Yanyan, Zhang, Mingjing, Lan, Weiqi, Ma, Mengyuan, Chen, Cheng, Wu, Saibin, Chen, Rong, Yan, Yiran, Feng, Lu, Li, Ying, Guddat, Luke W., Gao, Yan, Liu, Xiang and Rao, Zihe (2024). The structural and functional analysis of mycobacteria cysteine desulfurase-loaded encapsulin. Communications Biology, 7 (1) 1656. doi: 10.1038/s42003-024-07299-8 |
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2024 Journal Article Crystal Structures of <i>Arabidopsis thaliana</i> Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field TrialsCheng, Yan, Wang, Yuan, Lonhienne, Thierry, Wang, Jian-Guo and Guddat, Luke W. (2024). Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials. Journal of Agricultural and Food Chemistry, 72 (41), 22487-22498. doi: 10.1021/acs.jafc.4c04990 |
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2024 Journal Article Chemical Synthesis, Herbicidal Activity, Crop Safety, and Molecular Basis of <i>ortho</i>-Fluoroalkoxy Substituted Sulfonylureas as Novel Acetohydroxyacid Synthase InhibitorsXu, Qing, Gao, Yanhua, Sun, Zhongjie, Shi, Jin-Rui, Tang, Jin-Yin, Wang, Yuan, Liu, Yun, Sun, Xue-Wen, Li, Hao-Ran, Lonhienne, Thierry G., Niu, Cong-Wei, Li, Yong-Hong, Guddat, Luke W. and Wang, Jian-Guo (2024). Chemical Synthesis, Herbicidal Activity, Crop Safety, and Molecular Basis of ortho-Fluoroalkoxy Substituted Sulfonylureas as Novel Acetohydroxyacid Synthase Inhibitors. Journal of Agricultural and Food Chemistry, 72 (41), 22595-22605. doi: 10.1021/acs.jafc.4c05201 |
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2024 Journal Article Inherent symmetry and flexibility in hepatitis B virus subviral particlesWang, Quan, Wang, Tao, Cao, Lin, Mu, An, Fu, Sheng, Wang, Peipei, Gao, Yan, Ji, Wenxin, Liu, Zhenyu, Du, Zhanqiang, Guddat, Luke W., Zhang, Wenchi, Li, Shuang, Li, Xuemei, Lou, Zhiyong, Wang, Xiangxi, Hu, Zhongyu and Rao, Zihe (2024). Inherent symmetry and flexibility in hepatitis B virus subviral particles. Science, 385 (6714), 1217-1224. doi: 10.1126/science.adp1453 |
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2024 Journal Article Cryo-EM structures of a mycobacterial ABC transporter that mediates rifampicin resistanceWang, Yinan, Gao, Shan, Wu, Fangyu, Gong, Yicheng, Mu, Nengjiang, Wei, Chuancun, Wu, Chengyao, Wang, Jun, Yan, Ning, Yang, Huifang, Zhang, Yifan, Liu, Jiayi, Wang, Zeyu, Yang, Xiuna, Lam, Sin Man, Shui, Guanghou, Li, Siyuan, Da, Lintai, Guddat, Luke W., Rao, Zihe and Zhang, Lu (2024). Cryo-EM structures of a mycobacterial ABC transporter that mediates rifampicin resistance. Proceedings of the National Academy of Sciences, 121 (37) e2403421121, e2403421121. doi: 10.1073/pnas.2403421121 |
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2024 Journal Article MYC Induces Oncogenic Stress through RNA Decay and Ribonucleotide Catabolism in Breast CancerMeena, Jitendra K., Wang, Jarey H., Neill, Nicholas J., Keough, Dianne, Putluri, Nagireddy, Katsonis, Panagiotis, Koire, Amanda M., Lee, Hyemin, Bowling, Elizabeth A., Tyagi, Siddhartha, Orellana, Mayra, Dominguez-Vidaña, Rocio, Li, Heyuan, Eagle, Kenneth, Danan, Charles, Chung, Hsiang-Ching, Yang, Andrew D., Wu, William, Kurley, Sarah J., Ho, Brian M., Zoeller, Joseph R., Olson, Calla M., Meerbrey, Kristen L., Lichtarge, Olivier, Sreekumar, Arun, Dacso, Clifford C., Guddat, Luke W., Rejman, Dominik, Hocková, Dana ... Westbrook, Thomas F. (2024). MYC Induces Oncogenic Stress through RNA Decay and Ribonucleotide Catabolism in Breast Cancer. Cancer Discovery, 14 (9), OF1-OF18. doi: 10.1158/2159-8290.cd-22-0649 |
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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 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 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 & Molecular Biology, 31 (7), 1-11. 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 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 |
