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	A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
ジャーナル・号・ページ	Acs Chem. Biol., Vol. 18, Page 449-455, Year 2023
掲載日	2022年4月28日 (構造データの登録日)
著者	Yang, K.S. / Blankenship, L.R. / Kuo, S.A. / Sheng, Y.J. / Li, P. / Fierke, C.A. / Russell, D.H. / Yan, X. / Xu, S. / Liu, W.R.
リンク	Acs Chem. Biol. / PubMed:36629751
手法	X線回折
解像度	1.6 - 2.5 Å
構造データ	PDB-7uu6: Crystal structure of the SARS-CoV-2 main protease in its apo-form 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7uu7: Crystal structure of the SARS-CoV-2 main protease in its apo-form 手法: X-RAY DIFFRACTION / 解像度: 2.49 Å PDB-7uu8: Crystal structure of the SARS-CoV-2 main protease in its apo-form 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7uu9: Crystal structure of the SARS-CoV-2 main protease in its apo-form 手法: X-RAY DIFFRACTION / 解像度: 2.47 Å PDB-7uua: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7uub: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-7uuc: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7uud: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7uue: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI85 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å
化合物	ChemComp-HOH: WATER ChemComp-NOL: N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE ChemComp-7VB: N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-81L: N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide ChemComp-I71: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide ChemComp-I65*: benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
由来	severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	VIRAL PROTEIN / HYDROLASE / main protease / HYDROLASE/INHIBITOR / HYDROLASE-INHIBITOR complex