8VQX

Structure of SARS-CoV-2 main protease with potent peptide aldehyde inhibitor

これはPDB形式変換不可エントリーです。

8VQX の概要

• エントリーDOI: 10.2210/pdb8vqx/pdb
• 分子名称: 3C-like proteinase nsp5, N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-1-(1H-indole-2-carbonyl)-4,4-dimethyl-L-prolinamide, SODIUM ION, ... (6 entities in total)
• 機能のキーワード: viral protein sars cov 2, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2, 2019-nCoV, COVID-19 virus)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36674.64

構造登録者

Dougan, D.R.,Lane, W. (登録日: 2024-01-19, 公開日: 2024-08-07)

• 主引用文献: Carney, D.W.,Leffler, A.E.,Bell, J.A.,Chandrasinghe, A.S.,Cheng, C.,Chang, E.,Dornford, A.,Dougan, D.R.,Frye, L.L.,Grimes, M.E.,Knehans, T.,Knight, J.L.,Komandla, M.,Lane, W.,Li, H.,Newman, S.R.,Phimister, K.,Saikatendu, K.S.,Silverstein, H.,Vafaei, S.; Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.; Bioorg.Med.Chem., 103:117577-117577, 2024; PubMed: 38518735; DOI: 10.1016/j.bmc.2023.117577

実験手法

X-RAY DIFFRACTION (1.35 Å)