EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
ジャーナル・号・ページ	J. Biol. Chem., Vol. 299, Page 103004-103004, Year 2023
掲載日	2022年8月6日 (構造データの登録日)
著者	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.
リンク	J. Biol. Chem. / PubMed:36775130
手法	X線回折
解像度	1.664 - 2.48 Å
構造データ	PDB-8dz0: Crystal Structure of SARS-CoV-2 Main protease in complex with Ensitrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.29 Å PDB-8dz1: Crystal Structure of SARS-CoV-2 Main protease mutant M49I in complex with Ensitrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å PDB-8dz2: Crystal Structure of SARS-CoV-2 Main protease in complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.129 Å PDB-8dz6: Crystal Structure of SARS-CoV-2 Main protease mutant Q189K in complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.366 Å PDB-8dz9: Crystal Structure of SARS-CoV-2 Main protease G143S mutant in complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.664 Å PDB-8dza: Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.961 Å PDB-8e1y: Crystal Structure of SARS-CoV-2 Main protease A193S mutant in complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.48 Å PDB-8e25: Crystal Structure of SARS-CoV-2 Main Protease M49I mutant in complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.868 Å PDB-8e26: Crystal Structure of SARS-CoV-2 Main Protease N142S mutant in complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.845 Å
化合物	ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-7YY: 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione / 薬剤, 抗ウイルス剤, プロテアーゼ阻害剤YM ChemComp-HOH: WATER ChemComp-4WI: (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 / 薬剤, 抗ウイルス剤, プロテアーゼ阻害剤*YM
由来	severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	VIRAL PROTEIN / HYDROLASE/INHIBITOR / Mpro / 3cl / covid / sars-cov-2 ensitrelvir / nirmatrelvir / HYDROLASE-INHIBITOR complex / Main Protease / SARS-CoV-2