7LMI

SARS-CoV-1 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide

これはPDB形式変換不可エントリーです。

7LMI の概要

• エントリーDOI: 10.2210/pdb7lmi/pdb
• 分子名称: 3C-like proteinase, GLYCEROL, 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, ... (4 entities in total)
• 機能のキーワード: 3clpro, sars-cov-1 main protease, inhibitor complex, protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus (SARS-CoV)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34475.31

構造登録者

Arya, T.,Goins, C.M.,Macdonald, J.D.,Stauffer, S.R. (登録日: 2021-02-05, 公開日: 2021-08-11, 最終更新日: 2023-10-18)

• 主引用文献: Han, S.H.,Goins, C.M.,Arya, T.,Shin, W.J.,Maw, J.,Hooper, A.,Sonawane, D.P.,Porter, M.R.,Bannister, B.E.,Crouch, R.D.,Lindsey, A.A.,Lakatos, G.,Martinez, S.R.,Alvarado, J.,Akers, W.S.,Wang, N.S.,Jung, J.U.,Macdonald, J.D.,Stauffer, S.R.; Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).; J.Med.Chem., 65:2880-2904, 2022; PubMed: 34347470; DOI: 10.1021/acs.jmedchem.1c00598

実験手法

X-RAY DIFFRACTION (1.707 Å)