8TV7

SARS-CoV-2 Mac1 in complex with MDOLL-0229

8TV7 の概要

• エントリーDOI: 10.2210/pdb8tv7/pdb
• 分子名称: Papain-like protease nsp3, GLYCEROL, (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, ... (4 entities in total)
• 機能のキーワード: hydrolase, macrodomain, inhibitor, covid-19, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 19014.67

構造登録者

Wazir, S.,Maksimainen, M.,Lehtio, L. (登録日: 2023-08-17, 公開日: 2024-04-24, 最終更新日: 2024-05-08)

• 主引用文献: Wazir, S.,Parviainen, T.A.O.,Pfannenstiel, J.J.,Duong, M.T.H.,Cluff, D.,Sowa, S.T.,Galera-Prat, A.,Ferraris, D.,Maksimainen, M.M.,Fehr, A.R.,Heiskanen, J.P.,Lehtio, L.; Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target.; J.Med.Chem., 67:6519-6536, 2024; PubMed: 38592023; DOI: 10.1021/acs.jmedchem.3c02451

実験手法

X-RAY DIFFRACTION (1.5 Å)