6FV2

Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)

6FV2 の概要

• エントリーDOI: 10.2210/pdb6fv2/pdb
• 分子名称: 3C-like proteinase, GLYCEROL, (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, ... (4 entities in total)
• 機能のキーワード: viral protease, coronavirus, alpha-ketoamide, inhibitor, hydrolase
• 由来する生物種: Human coronavirus NL63 (HCoV-NL63)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 101619.97

構造登録者

Zhang, L.,Hilgenfeld, R. (登録日: 2018-02-28, 公開日: 2019-03-20, 最終更新日: 2021-04-28)

• 主引用文献: Zhang, L.,Lin, D.,Kusov, Y.,Nian, Y.,Ma, Q.,Wang, J.,von Brunn, A.,Leyssen, P.,Lanko, K.,Neyts, J.,de Wilde, A.H.,Snijder, E.J.,Liu, H.,Hilgenfeld, R.; Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.; J.Med.Chem., 2020; PubMed: 32045235; DOI: 10.1021/acs.jmedchem.9b01828

実験手法

X-RAY DIFFRACTION (2.95 Å)