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2020 Journal Article Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofurJin, 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 |
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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 inhibitorsKrishna, 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 |
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2020 Journal Article Adaptation of a continuous, calorimetric kinetic assay to study the agmatinase-catalyzed hydrolytic reactionWilson, 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 |
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2020 Journal Article Structure of the RNA-dependent RNA polymerase from COVID-19 virusGao, 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 |
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2020 Journal Article Structures of Mycobacterium tuberculosis penicillin-binding protein 3 in complex with five β-lactam antibiotics reveal mechanism of inactivationLu, 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 |
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2020 Journal Article Discovery, synthesis and evaluation of a novel ketol-acid reductoisomerase inhibitorBayaraa, 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 |
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2020 Journal Article Structural elements that modulate the substrate specificity of plant purple acid phosphatases: avenues for improved phosphorus acquisition in cropsFeder, Daniel, McGeary, Ross P., Mitić, Natasa, Lonhienne, Thierry, Furtado, Agnelo, Schulz, Benjamin L., Henry, Robert J., Schmidt, Susanne, Guddat, Luke W. and Schenk, Gerhard (2020). Structural elements that modulate the substrate specificity of plant purple acid phosphatases: avenues for improved phosphorus acquisition in crops. Plant Science, 294 110445, 110445. doi: 10.1016/j.plantsci.2020.110445 |
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2020 Journal Article Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2Zhang, Lu, Zhao, Yao, Gao, Ruogu, Li, Jun, Yang, Xiuna, Gao, Yan, Zhao, Wei, Gurcha, Sudagar S., Veerapen, Natacha, Batt, Sarah M., Besra, Kajelle Kaur, Xu, Wenqing, Bi, Lijun, Zhang, Xian’en, Guddat, Luke W., Yang, Haitao, Wang, Quan, Besra, Gurdyal S. and Rao, Zihe (2020). Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2. Protein and Cell, 11 (7), 505-517. doi: 10.1007/s13238-020-00726-6 |
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2019 Journal Article Sulfide, sulfoxide and sulfone bridged acyclic nucleoside phosphonates as inhibitors of the Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases: synthesis and evaluationKlejch, Tomáš, Keough, Dianne T., Chavchich, Marina, Travis, Jye, Skácel, Jan, Pohl, Radek, Janeba, Zlatko, Edstein, Michael D., Avery, Vicky M., Guddat, Luke W. and Hocková, Dana (2019). Sulfide, sulfoxide and sulfone bridged acyclic nucleoside phosphonates as inhibitors of the Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases: synthesis and evaluation. European Journal of Medicinal Chemistry, 183 111667, 111667. doi: 10.1016/j.ejmech.2019.111667 |
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2019 Journal Article Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosisFeder, Daniel, Kan, Meng-Wei, Hussein, Waleed M., Guddat, Luke W., Schenk, Gerhard and McGeary, Ross P. (2019). Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis. European Journal of Medicinal Chemistry, 182 111611, 111611. doi: 10.1016/j.ejmech.2019.111611 |
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2019 Journal Article Mycobacterial dynamin-like protein IniA mediates membrane fissionWang, Manfu, Guo, Xiangyang, Yang, Xiuna, Zhang, Bing, Ren, Jie, Liu, Aijun, Ran, Yajun, Yan, Bing, Chen, Fang, Guddat, Luke W., Hu, Junjie, Li, Jun and Rao, Zihe (2019). Mycobacterial dynamin-like protein IniA mediates membrane fission. Nature Communications, 10 (1) 3906, 3906. doi: 10.1038/s41467-019-11860-z |
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2019 Journal Article Crystal structures of Trypanosoma brucei hypoxanthine – guanine – xanthine phosphoribosyltransferase in complex with IMP , GMP and XMPTerán, David, Doleželová, Eva, Keough, Dianne T., Hocková, Dana, Zíková, Alena and Guddat, Luke W. (2019). Crystal structures of Trypanosoma brucei hypoxanthine – guanine – xanthine phosphoribosyltransferase in complex with IMP , GMP and XMP. The FEBS Journal, 286 (23) febs.14987, 4721-4736. doi: 10.1111/febs.14987 |
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2019 Journal Article The binding mode of an ADP analogue to a metallohydrolase mimics the likely transition stateFeder, Daniel, Gahan, Lawrence R., McGeary, Ross P., Guddat, Luke W. and Schenk, Gerhard (2019). The binding mode of an ADP analogue to a metallohydrolase mimics the likely transition state. ChemBioChem, 20 (12), 1536-1540. doi: 10.1002/cbic.201900077 |
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2019 Journal Article Relative catalytic efficiencies and transcript levels of three D‐ and two L‐lactate dehydrogenases for optically pure D‐lactate production in Sporolactobacillus inulinusWu, Bin, Yu, Qi, Zheng, Shan, Pedroso, Marcelo Monteiro, Guddat, Luke W., He, Bingfang and Schenk, Gerhard (2019). Relative catalytic efficiencies and transcript levels of three D‐ and two L‐lactate dehydrogenases for optically pure D‐lactate production in Sporolactobacillus inulinus. MicrobiologyOpen, 8 (5) e00704, e00704. doi: 10.1002/mbo3.704 |
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2019 Journal Article Discovery and evaluation of novel Mycobacterium tuberculosis ketol-acid reductoisomerase inhibitors as therapeutic drug leadsKrishna, Vagolu Siva, Zheng, Shan, Rekha, Estharla Madhu, Guddat, Luke W. and Sriram, Dharmarajan (2019). Discovery and evaluation of novel Mycobacterium tuberculosis ketol-acid reductoisomerase inhibitors as therapeutic drug leads. Journal of Computer-Aided Molecular Design, 33 (3), 357-366. doi: 10.1007/s10822-019-00184-1 |
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2019 Journal Article Synthesis of the seco-limonoid BCD ring system identifies a Hsp90 chaperon machinery (p23) inhibitorPinkerton, David M., Chow, Sharon, Eisa, Nada H., Kainth, Kashish, Vanden Berg, Timothy J., Burns, Jed M., Guddat, Luke W., Savage, G. Paul, Chadli, Ahmed and Williams, Craig M. (2019). Synthesis of the seco-limonoid BCD ring system identifies a Hsp90 chaperon machinery (p23) inhibitor. Chemistry - A European Journal, 25 (6), 1451-1455. doi: 10.1002/chem.201805420 |
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2019 Journal Article Crystal structures of membrane transporter MmpL3, an Anti-TB drug targetZhang, Bing, Li, Jun, Yang, Xiaolin, Wu, Lijie, Zhang, Jia, Yang, Yang, Zhao, Yao, Zhang, Lu, Yang, Xiuna, Yang, Xiaobao, Cheng, Xi, Liu, Zhijie, Jiang, Biao, Jiang, Hualiang, Guddat, Luke W., Yang, Haitao and Rao, Zihe (2019). Crystal structures of membrane transporter MmpL3, an Anti-TB drug target. Cell, 176 (3), 636-648.e13. doi: 10.1016/j.cell.2019.01.003 |
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2019 Journal Article Structural insights into substrate recognition by the type VII secretion systemWang, Shuhui, Zhou, Kaixuan, Yang, Xiaolin, Zhang, Bing, Zhao, Yao, Xiao, Yu, Yang, Xiuna, Yang, Haitao, Guddat, Luke W., Li, Jun and Rao, Zihe (2019). Structural insights into substrate recognition by the type VII secretion system. Protein and Cell, 11 (2), 124-137. doi: 10.1007/s13238-019-00671-z |
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2019 Journal Article Synthesis and evaluation of novel purple acid phosphatase inhibitorsHussein, Waleed M., Feder, Daniel, Schenk, Gerhard, Guddat, Luke W. and McGeary, Ross P. (2019). Synthesis and evaluation of novel purple acid phosphatase inhibitors. MedChemComm, 10 (1), 61-71. doi: 10.1039/c8md00491a |
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2018 Journal Article An electron transfer path connects subunits of a mycobacterial respiratory supercomplexGong, Hongri, Li, Jun, Xu, Ao, Tang, Yanting, Ji, Wenxin, Gao, Ruogu, Wang, Shuhui, Yu, Lu, Tian, Changlin, Li, Jingwen, Yen, Hsin-Yung, Lam, Sin Man, Shui, Guanghou, Yang, Xiuna, Sun, Yuna, Li, Xuemei, Jia, Minze, Yang, Cheng, Jiang, Biao, Lou, Zhiyong, Robinson, Carol V., Wong, Luet-Lok, Guddat, Luke W., Sun, Fei, Wang, Quan and Rao, Zihe (2018). An electron transfer path connects subunits of a mycobacterial respiratory supercomplex. Science, 362 (6418) eaat8923, eaat8923-+. doi: 10.1126/science.aat8923 |
