8BGA

Structure of Mpro in complex with FGA146

8BGA の概要

• エントリーDOI: 10.2210/pdb8bga/pdb
• 分子名称: 3C-like proteinase nsp5, 4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide (3 entities in total)
• 機能のキーワード: mpro, sars-cov-2, fga146, 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: 68626.19

構造登録者

Medrano, F.J.,Romero, A. (登録日: 2022-10-27, 公開日: 2023-11-08, 最終更新日: 2024-03-27)

• 主引用文献: Medrano, F.J.,de la Hoz-Rodriguez, S.,Marti, S.,Arafet, K.,Schirmeister, T.,Hammerschmidt, S.J.,Muller, C.,Gonzalez-Martinez, A.,Santillana, E.,Ziebuhr, J.,Romero, A.,Zimmer, C.,Weldert, A.,Zimmermann, R.,Lodola, A.,Swiderek, K.,Moliner, V.,Gonzalez, F.V.; Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2.; Commun Chem, 7:15-15, 2024; PubMed: 38238420; DOI: 10.1038/s42004-024-01104-7

実験手法

X-RAY DIFFRACTION (1.982 Å)