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7EN8

Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04

Summary for 7EN8
Entry DOI10.2210/pdb7en8/pdb
Descriptor3C-like proteinase, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide, GLYCEROL, ... (4 entities in total)
Functional Keywordsnon-covalent, inhibitor, 3clpro, coronavirus, viral protein
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains2
Total formula weight68795.95
Authors
Hou, N.,Peng, C.,Hu, Q. (deposition date: 2021-04-16, release date: 2022-07-20, Last modification date: 2023-11-29)
Primary citationHou, N.,Shuai, L.,Zhang, L.,Xie, X.,Tang, K.,Zhu, Y.,Yu, Y.,Zhang, W.,Tan, Q.,Zhong, G.,Wen, Z.,Wang, C.,He, X.,Huo, H.,Gao, H.,Xu, Y.,Xue, J.,Peng, C.,Zou, J.,Schindewolf, C.,Menachery, V.,Su, W.,Yuan, Y.,Shen, Z.,Zhang, R.,Yuan, S.,Yu, H.,Shi, P.Y.,Bu, Z.,Huang, J.,Hu, Q.
Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9:217-227, 2023
Cited by
PubMed: 36844503
DOI: 10.1021/acscentsci.2c01359
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.83 Å)
Structure validation

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