8B56

Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9

8B56 の概要

• エントリーDOI: 10.2210/pdb8b56/pdb
• 分子名称: 3C-like proteinase nsp5, (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, CHLORIDE ION, ... (5 entities in total)
• 機能のキーワード: sars-ncov, 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: 2
• 化学式量合計: 68695.46

構造登録者

Straeter, N.,Muller, C.E.,Claff, T.,Sylvester, K.,Weisse, R.,Gao, S.,Song, L.,Liu, X.,Zhan, P. (登録日: 2022-09-21, 公開日: 2023-08-09, 最終更新日: 2024-01-31)

• 主引用文献: Gao, S.,Song, L.,Claff, T.,Woodson, M.,Sylvester, K.,Jing, L.,Weisse, R.H.,Cheng, Y.,Strater, N.,Schakel, L.,Gutschow, M.,Ye, B.,Yang, M.,Zhang, T.,Kang, D.,Toth, K.,Tavis, J.,Tollefson, A.E.,Muller, C.E.,Zhan, P.,Liu, X.; Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.; J.Med.Chem., 65:16902-16917, 2022; PubMed: 36475694; DOI: 10.1021/acs.jmedchem.2c01716

実験手法

X-RAY DIFFRACTION (1.823 Å)