8FY6

SARS-CoV-2 main protease in complex with covalent inhibitor

8FY6 の概要

• エントリーDOI: 10.2210/pdb8fy6/pdb
• 分子名称: 3C-like proteinase nsp5, (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total)
• 機能のキーワード: sars-cov-2 main protease, protease, non-structural protein, covalent inhibitor, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34328.12

構造登録者

Fried, W.,Chen, X.S. (登録日: 2023-01-25, 公開日: 2023-08-30, 最終更新日: 2024-07-24)

• 主引用文献: Ngo, C.,Fried, W.,Aliyari, S.,Feng, J.,Qin, C.,Zhang, S.,Yang, H.,Shanaa, J.,Feng, P.,Cheng, G.,Chen, X.S.,Zhang, C.; Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.; J.Med.Chem., 66:12237-12248, 2023; PubMed: 37595260; DOI: 10.1021/acs.jmedchem.3c00810

実験手法

X-RAY DIFFRACTION (2 Å)