8CYU

Crystal structure of SARS-CoV-2 Mpro with compound C5

8CYU の概要

• エントリーDOI: 10.2210/pdb8cyu/pdb
• 関連するPDBエントリー: 8CYP 8CYQ
• 分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide (3 entities in total)
• 機能のキーワード: covid-19, sars-cov-2, protease, inhibitor, 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: 4
• 化学式量合計: 137046.06

構造登録者

Worrall, L.J.,Lee, J.,Strynadka, N.C.J. (登録日: 2022-05-24, 公開日: 2023-08-30)

• 主引用文献: Perez-Vargas, J.,Worrall, L.J.,Olmstead, A.D.,Ton, A.T.,Lee, J.,Villanueva, I.,Thompson, C.A.H.,Dudek, S.,Ennis, S.,Smith, J.R.,Shapira, T.,De Guzman, J.,Gang, S.,Ban, F.,Vuckovic, M.,Bielecki, M.,Kovacic, S.,Kenward, C.,Hong, C.Y.,Gordon, D.G.,Levett, P.N.,Krajden, M.,Leduc, R.,Boudreault, P.L.,Niikura, M.,Paetzel, M.,Young, R.N.,Cherkasov, A.,Strynadka, N.C.J.,Jean, F.; A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.; Emerg Microbes Infect, 12:2246594-2246594, 2023; PubMed: 37555275; DOI: 10.1080/22221751.2023.2246594

実験手法

X-RAY DIFFRACTION (1.8 Å)