7EN8

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

7EN8 の概要

• エントリーDOI: 10.2210/pdb7en8/pdb
• 分子名称: 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)
• 機能のキーワード: non-covalent, inhibitor, 3clpro, coronavirus, viral protein
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68795.95

構造登録者

Hou, N.,Peng, C.,Hu, Q. (登録日: 2021-04-16, 公開日: 2022-07-20, 最終更新日: 2023-11-29)

• 主引用文献: 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; PubMed: 36844503; DOI: 10.1021/acscentsci.2c01359

実験手法

X-RAY DIFFRACTION (1.83 Å)