8TV6

SARS-CoV-2 Mac1 in complex with MDOLL-0169

8TV6 の概要

• エントリーDOI: 10.2210/pdb8tv6/pdb
• 分子名称: Papain-like protease nsp3, DI(HYDROXYETHYL)ETHER, (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, ... (5 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 (SARS-CoV-2, 2019-nCoV, COVID-19 virus)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 37555.77

構造登録者

Wazir, S.,Maksimainen, M.,Lehtio, L. (登録日: 2023-08-17, 公開日: 2024-04-17, 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 (1.74 Å)