8WTI

Crystal structure of the SARS-CoV-2 main protease in complex with 20j

8WTI の概要

• エントリーDOI: 10.2210/pdb8wti/pdb
• 分子名称: 3C-like proteinase nsp5, ~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide, DI(HYDROXYETHYL)ETHER, ... (5 entities in total)
• 機能のキーワード: severe acute respiratory syndrome coronavirus 2, main protease, viral protein
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 69296.95

構造登録者

Zeng, R.,Zhao, X.,Yang, S.Y.,Lei, J. (登録日: 2023-10-18, 公開日: 2024-08-28)

• 主引用文献: Huang, Q.,Quan, B.,Chen, Y.,Zhao, X.,Zhou, Y.,Huang, C.,Qiao, J.,Wang, Y.,Li, Y.,Yang, S.,Lei, J.,Li, L.; Discovery of alpha-Ketoamide inhibitors of SARS-CoV-2 main protease derived from quaternized P1 groups.; Bioorg.Chem., 143:107001-107001, 2024; PubMed: 38101266; DOI: 10.1016/j.bioorg.2023.107001

実験手法

X-RAY DIFFRACTION (1.5 Å)