7EN8
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
Summary for 7EN8
Entry DOI | 10.2210/pdb7en8/pdb |
Descriptor | 3C-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 Keywords | non-covalent, inhibitor, 3clpro, coronavirus, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
Total number of polymer chains | 2 |
Total formula weight | 68795.95 |
Authors | |
Primary citation | Hou, 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: 36844503DOI: 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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