8DL9

Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z199538122

8DL9 の概要

• エントリーDOI: 10.2210/pdb8dl9/pdb
• 分子名称: 3C-like proteinase, 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one (3 entities in total)
• 機能のキーワード: viral cysteine protease, homodimer, enzyme-inhibitor complex, hydrolase
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34093.90

構造登録者

Kovalevsky, A.Y.,Coates, L.,Kneller, D.W. (登録日: 2022-07-07, 公開日: 2023-05-17, 最終更新日: 2023-10-25)

• 主引用文献: Joshi, R.P.,Schultz, K.J.,Wilson, J.W.,Kruel, A.,Varikoti, R.A.,Kombala, C.J.,Kneller, D.W.,Galanie, S.,Phillips, G.,Zhang, Q.,Coates, L.,Parvathareddy, J.,Surendranathan, S.,Kong, Y.,Clyde, A.,Ramanathan, A.,Jonsson, C.B.,Brandvold, K.R.,Zhou, M.,Head, M.S.,Kovalevsky, A.,Kumar, N.; AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.; J.Chem.Inf.Model., 63:1438-1453, 2023; PubMed: 36808989; DOI: 10.1021/acs.jcim.2c01377

実験手法

X-RAY DIFFRACTION (1.9 Å)