8RJY

Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication)

これはPDB形式変換不可エントリーです。

8RJY の概要

• エントリーDOI: 10.2210/pdb8rjy/pdb
• 分子名称: 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide (3 entities in total)
• 機能のキーワード: mpro, main protease, covalent inhibitor, viral protein
• 由来する生物種: Severe acute respiratory syndrome coronavirus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34393.68

構造登録者

Strater, N.,Claff, T.,Sylvester, K.,Mueller, C.E.,Guetschow, M.,Useini, A. (登録日: 2023-12-22, 公開日: 2024-05-29, 最終更新日: 2024-06-19)

• 主引用文献: Breidenbach, J.,Voget, R.,Si, Y.,Hingst, A.,Claff, T.,Sylvester, K.,Wolf, V.,Krasniqi, V.,Useini, A.,Strater, N.,Ogura, Y.,Kawaguchi, A.,Muller, C.E.,Gutschow, M.; Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.; J.Med.Chem., 67:8757-8790, 2024; PubMed: 38753594; DOI: 10.1021/acs.jmedchem.4c00053

実験手法

X-RAY DIFFRACTION (1.97 Å)