7ENE
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Summary for 7ENE
Entry DOI | 10.2210/pdb7ene/pdb |
Related | 7EN8 7END |
Descriptor | ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide (2 entities in total) |
Functional Keywords | non-covalent, inhibitor, 3clpro, coronavirus, viral protein |
Biological source | Middle East respiratory syndrome coronavirus |
Total number of polymer chains | 4 |
Total formula weight | 135522.22 |
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 (2.98 Å) |
Structure validation
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