7DNC

Crystal structure of EV71 3C proteinase in complex with a novel inhibitor

7DNC の概要

• エントリーDOI: 10.2210/pdb7dnc/pdb
• 分子名称: 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide (3 entities in total)
• 機能のキーワード: 3cpro, inhibitor, complex, hydrolase
• 由来する生物種: Human enterovirus 71 (EV71)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 20586.60

構造登録者

Xie, H.,Su, H.X.,Li, M.J.,Xu, Y.C. (登録日: 2020-12-09, 公開日: 2021-05-05, 最終更新日: 2023-11-29)

• 主引用文献: Dai, W.,Jochmans, D.,Xie, H.,Yang, H.,Li, J.,Su, H.,Chang, D.,Wang, J.,Peng, J.,Zhu, L.,Nian, Y.,Hilgenfeld, R.,Jiang, H.,Chen, K.,Zhang, L.,Xu, Y.,Neyts, J.,Liu, H.; Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.; J.Med.Chem., 65:2794-2808, 2022; PubMed: 33872498; DOI: 10.1021/acs.jmedchem.0c02258

実験手法

X-RAY DIFFRACTION (1.17 Å)