8UUG

SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303

8UUG の概要

• エントリーDOI: 10.2210/pdb8uug/pdb
• 分子名称: Papain-like protease nsp3, N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, GLYCEROL, ... (7 entities in total)
• 機能のキーワード: sars cov-2 papain-like protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2, 2019-nCoV, COVID-19 virus)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37116.37

構造登録者

Ansari, A.,Tan, B.,Ruiz, F.X.,Arnold, E.,Wang, J. (登録日: 2023-11-01, 公開日: 2024-04-03, 最終更新日: 2024-05-01)

• 主引用文献: Tan, B.,Zhang, X.,Ansari, A.,Jadhav, P.,Tan, H.,Li, K.,Chopra, A.,Ford, A.,Chi, X.,Ruiz, F.X.,Arnold, E.,Deng, X.,Wang, J.; Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.; Science, 383:1434-1440, 2024; PubMed: 38547259; DOI: 10.1126/science.adm9724

実験手法

X-RAY DIFFRACTION (2.74 Å)