7VVT

SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor

7VVT の概要

• エントリーDOI: 10.2210/pdb7vvt/pdb
• 分子名称: 3C-like proteinase, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide (3 entities in total)
• 機能のキーワード: main protease, covalent inhibitor, viral protein-inhibitor complex, viral inhibitor-complex complex, viral inhibitor/complex
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68270.59

構造登録者

Su, H.,Nie, T.,Li, M.,Xu, Y. (登録日: 2021-11-08, 公開日: 2022-03-02, 最終更新日: 2023-11-29)

• 主引用文献: Xiong, M.,Nie, T.,Shao, Q.,Li, M.,Su, H.,Xu, Y.; In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease.; Eur.J.Med.Chem., 231:114130-114130, 2022; PubMed: 35114541; DOI: 10.1016/j.ejmech.2022.114130

実験手法

X-RAY DIFFRACTION (2.51 Å)