9ARS

Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-245

9ARS の概要

• エントリーDOI: 10.2210/pdb9ars/pdb
• 分子名称: 3C-like proteinase nsp5, (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-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, 3c-like proteinase, viral protein, sars-cov-2, 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: 2
• 化学式量合計: 68902.53

構造登録者

Bulut, H.,Hattori, S.,Hayashi, H.,Hasegawa, K.,Li, M.,Wlodawer, A.,Misumi, S.,Tamamura, H.,Mitsuya, H. (登録日: 2024-02-23, 公開日: 2024-04-24)

• 主引用文献: Hattori, S.,Bulut, H.,Hayashi, H.,Kishimoto, N.,Takamune, N.,Hasegawa, K.,Murayama, K.,Mi, L.,Wlodawer, A.,Tamamura, H.,Misumi, S.,Mitsuya, H.; Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors; To Be Published,

実験手法

X-RAY DIFFRACTION (2.4 Å)