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 Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
ジャーナル・号・ページ	Chemmedchem, Vol. 16, Page 942-948, Year 2021
掲載日	2020年8月10日 (構造データの登録日)
著者	Yang, K.S. / Ma, X.R. / Ma, Y. / Alugubelli, Y.R. / Scott, D.A. / Vatansever, E.C. / Drelich, A.K. / Sankaran, B. / Geng, Z.Z. / Blankenship, L.R. ...Yang, K.S. / Ma, X.R. / Ma, Y. / Alugubelli, Y.R. / Scott, D.A. / Vatansever, E.C. / Drelich, A.K. / Sankaran, B. / Geng, Z.Z. / Blankenship, L.R. / Ward, H.E. / Sheng, Y.J. / Hsu, J.C. / Kratch, K.C. / Zhao, B. / Hayatshahi, H.S. / Liu, J. / Li, P. / Fierke, C.A. / Tseng, C.K. / Xu, S. / Liu, W.R.
リンク	Chemmedchem / PubMed:33283984
手法	X線回折
解像度	1.4 - 2.1 Å
構造データ	PDB-7jpy: Crystal structure of the SARS-CoV-2 main protease in its apo-form 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7jpz: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7jq0: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI3 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-7jq1: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-7jq2: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-7jq3: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7jq4: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-7jq5: Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å
化合物	ChemComp-HOH: WATER ChemComp-GHX: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate ChemComp-VHV: N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide ChemComp-VHJ: N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide ChemComp-VHM: N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide ChemComp-VHP: N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide ChemComp-XM2: N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide 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
由来	severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	VIRAL PROTEIN / HYDROLASE / COVID-19 / SARS-CoV-2 / main protease / 3C-like protease / HYDROLASE/INHIBITOR / reversible covalent inhibitors / HYDROLASE-INHIBITOR complex