8DZ6

Crystal Structure of SARS-CoV-2 Main protease mutant Q189K in complex with Nirmatrelvir

8DZ6 の概要

• エントリーDOI: 10.2210/pdb8dz6/pdb
• 分子名称: 3C-like proteinase nsp5, (1R,2S,5S)-N-{(1E,2S)-1-imino-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, DIMETHYL SULFOXIDE, ... (4 entities in total)
• 機能のキーワード: mpro, 3cl, covid, sars-cov-2 ensitrelvir, nirmatrelvir, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 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: 2
• 化学式量合計: 68890.68

構造登録者

Noske, G.D.,Oliva, G.,Godoy, A.S. (登録日: 2022-08-06, 公開日: 2022-10-05, 最終更新日: 2023-10-25)

• 主引用文献: Noske, G.D.,de Souza Silva, E.,de Godoy, M.O.,Dolci, I.,Fernandes, R.S.,Guido, R.V.C.,Sjo, P.,Oliva, G.,Godoy, A.S.; Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.; J.Biol.Chem., 299:103004-103004, 2023; PubMed: 36775130; DOI: 10.1016/j.jbc.2023.103004

実験手法

X-RAY DIFFRACTION (2.366 Å)