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2020

Journal Article

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

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

2020

Journal Article

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

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

2020

Journal Article

Inhibition studies of ketol-acid reductoisomerases from pathogenic microorganisms

Wun, Shun Jie, Johnson, Lambro A., You, Lv, McGeary, Ross P., Brueck, Thomas, Schenk, Gerhard and Guddat, Luke W. (2020). Inhibition studies of ketol-acid reductoisomerases from pathogenic microorganisms. Archives of Biochemistry and Biophysics, 692 108516, 108516. doi: 10.1016/j.abb.2020.108516

Inhibition studies of ketol-acid reductoisomerases from pathogenic microorganisms

2020

Journal Article

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

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

2020

Journal Article

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

Agnew-Francis, Kylie A., Tang, Yu Cheng, Lin, Xin, Low, Yu Shang, Wun, Shun Jie, Kuo, Andy, Elias, S. M. A. Sayeed Ibn, Lonhienne, Thierry G., Condon, Nicholas, Pimentel, Bruna Natalia Alves da Silva, Vergani, Carlos, Smith, Maree T., Fraser, James A., Williams, Craig M. and Guddat, Luke W (2020). Herbicides that target acetohydroxyacid synthase are potent inhibitors of the growth of drug resistant Candida auris. ACS infectious diseases, 6 (11) acsinfecdis.0c00229, 2901-2912. doi: 10.1021/acsinfecdis.0c00229

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

2020

Journal Article

Towards a sustainable generation of pseudopterosin-type bioactives

Ringel, Marion, Reinbold, Markus, Hirte, Max, Haack, Martina, Huber, Claudia, Eisenreich, Wolfgang, Masri, Mahmoud A., Schenk, Gerhard, Guddat, Luke W., Loll, Bernhard, Kerr, Russell, Garbe, Daniel and Brück, Thomas (2020). Towards a sustainable generation of pseudopterosin-type bioactives. Green Chemistry, 22 (18), 6033-6046. doi: 10.1039/d0gc01697g

Towards a sustainable generation of pseudopterosin-type bioactives

2020

Journal Article

Structures of fungal and plant acetohydroxyacid synthases

Lonhienne, Thierry, Low, Yu Shang, Garcia, Mario D., Croll, Tristan, Gao, Yan, Wang, Quan, Brillault, Lou, Williams, Craig M., Fraser, James A., McGeary, Ross P., West, Nicholas P., Landsberg, Michael J., Rao, Zihe, Schenk, Gerhard and Guddat, Luke W. (2020). Structures of fungal and plant acetohydroxyacid synthases. Nature, 586 (7828), 317-321+. doi: 10.1038/s41586-020-2514-3

Structures of fungal and plant acetohydroxyacid synthases

2020

Journal Article

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

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

2020

Journal Article

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

Pedroso, Marcelo Monteiro, Waite, David W., Melse, Okke, Wilson, Liam, Mitić, Nataša, McGeary, Ross P., Antes, Iris, Guddat, Luke W., Hugenholtz, Philip and Schenk, Gerhard (2020). Broad spectrum antibiotic-degrading metallo-β-lactamases are phylogenetically diverse. Protein and Cell, 11 (8), 613-617. doi: 10.1007/s13238-020-00736-4

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

2020

Journal Article

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

Zhang, Lu, Zhao, Yao, Gao, Yan, Wu, Lijie, Gao, Ruogu, Zhang, Qi, Wang, Yinan, Wu, Chengyao, Wu, Fangyu, Gurcha, Sudagar S., Veerapen, Natacha, Batt, Sarah M., Zhao, Wei, Qin, Ling, Yang, Xiuna, Wang, Manfu, Zhu, Yan, Zhang, Bing, Bi, Lijun, Zhang, Xian’en, Yang, Haitao, Guddat, Luke W., Xu, Wenqing, Wang, Quan, Li, Jun, Besra, Gurdyal S. and Rao, Zihe (2020). Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368 (6496), eaba9102-1219. doi: 10.1126/science.aba9102

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

2020

Journal Article

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

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

2020

Journal Article

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 the inhibition of mycobacterial MmpL3 by NITD-349 and SPIRO

2020

Journal Article

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 RNA replication by the SARS-CoV-2 polymerase

2020

Journal Article

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

Jin, Zhenming, Zhao, Yao, Sun, Yuan, Zhang, Bing, Wang, Haofeng, Wu, Yan, Zhu, Yan, Zhu, Chen, Hu, Tianyu, Du, Xiaoyu, Duan, Yinkai, Yu, Jing, Yang, Xiaobao, Yang, Xiuna, Yang, Kailin, Liu, Xiang, Guddat, Luke W., Xiao, Gengfu, Zhang, Leike, Yang, Haitao and Rao, Zihe (2020). Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur. Nature Structural and Molecular Biology, 27 (6), 529-532. doi: 10.1038/s41594-020-0440-6

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

2020

Journal Article

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

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

2020

Journal Article

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

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

2020

Journal Article

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

Gao, Yan, Yan, Liming, Huang, Yucen, Liu, Fengjiang, Zhao, Yao, Cao, Lin, Wang, Tao, Sun, Qianqian, Ming, Zhenhua, Zhang, Lianqi, Ge, Ji, Zheng, Litao, Zhang, Ying, Wang, Haofeng, Zhu, Yan, Zhu, Chen, Hu, Tianyu, Hua, Tian, Zhang, Bing, Yang, Xiuna, Li, Jun, Yang, Haitao, Liu, Zhijie, Xu, Wenqing, Guddat, Luke W., Wang, Quan, Lou, Zhiyong and Rao, Zihe (2020). Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science, 368 (6492), abb7498-782. doi: 10.1126/science.abb7498

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

2020

Other Outputs

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

Jin, Zhenming, Zhao, Yao, Sun, Yuan, Zhang, Bing, Wang, Haofeng, Wu, Yan, Zhu, Yan, Zhu, Chen, Hu, Tianyu, Du, Xiaoyu, Duan, Yinkai, Yu, Jing, Yang, Xiaobao, Yang, Xiuna, Yang, Kailin, Liu, Xiang, Guddat, Luke W., Xiao, Gengfu, Zhang, Leike, Yang, Haitao and Rao, Zihe (2020). Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug Carmofur. doi: 10.1101/2020.04.09.033233

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

2020

Journal Article

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

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

2020

Journal Article

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

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