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2024

Journal Article

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 and Molecular Biology, 31 (7), 1072-1082. doi: 10.1038/s41594-024-01256-z

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

2024

Journal Article

Molecular basis for substrate transport of Mycobacterium tuberculosis 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

Molecular basis for substrate transport of Mycobacterium tuberculosis ABC importer DppABCD

2024

Journal Article

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

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

2023

Journal Article

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

2023

Journal Article

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

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

2023

Journal Article

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

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

2023

Conference Publication

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

Structural investigation of two commercial herbicides that target acetohydroxyacid synthase

2023

Conference Publication

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

Targeting acetohydroxyacid synthase to discover new therapeutics for Cryptococcus neoformans infections

2023

Conference Publication

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

Acetohydroxyacid synthase: structure, function, regulation and inhibition

2023

Conference Publication

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 basis of resistance to herbicides that target acetohydroxyacid synthase

2023

Conference Publication

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

Investigations of Mycobacterium tuberculosis acetohydroxyacid synthases as therapeutic drug targets

2023

Journal Article

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

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

2023

Journal Article

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

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

2023

Journal Article

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

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

2023

Journal Article

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

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

2023

Journal Article

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

Structure of the human ATP synthase

2023

Journal Article

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

Cryo-EM structures of a prokaryotic heme transporter CydDC

2023

Journal Article

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

Structure of the human respiratory complex II

2023

Journal Article

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

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

2023

Journal Article

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