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	Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
ジャーナル・号・ページ	J. Med. Chem., Vol. 50, Page 2310-2318, Year 2007
掲載日	2006年12月12日 (構造データの登録日)
著者	Prongay, A.J. / Guo, Z. / Yao, N. / Pichardo, J. / Fischmann, T. / Strickland, C. / Myers, J. / Weber, P.C. / Beyer, B.M. / Ingram, R. ...Prongay, A.J. / Guo, Z. / Yao, N. / Pichardo, J. / Fischmann, T. / Strickland, C. / Myers, J. / Weber, P.C. / Beyer, B.M. / Ingram, R. / Hong, Z. / Prosise, W.W. / Ramanathan, L. / Taremi, S.S. / Yarosh-Tomaine, T. / Zhang, R. / Senior, M. / Yang, R.S. / Malcolm, B. / Arasappan, A. / Bennett, F. / Bogen, S.L. / Chen, K. / Jao, E. / Liu, Y.T. / Lovey, R.G. / Saksena, A.K. / Venkatraman, S. / Girijavallabhan, V. / Njoroge, F.G. / Madison, V.
リンク	J. Med. Chem. / PubMed:17444623
手法	X線回折
解像度	2 - 2.7 Å
構造データ	PDB-2o8m: Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-2obo: Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-2obq: Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-2oc0: Structure of NS3 complexed with a ketoamide inhibitor SCh491762 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2oc1: Structure of the HCV NS3/4A Protease Inhibitor CVS4819 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-2oc7: Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-2oc8: Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 手法: X-RAY DIFFRACTION / 解像度: 2.66 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-HOH: WATER ChemComp-BME: BETA-MERCAPTOETHANOL / 2-メルカプトエタノ-ル ChemComp-HUD: tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate ChemComp-HU1: TERT-BUTYL {(1S)-2-[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE ChemComp-HU2: (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI ChemComp-HU4: TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE ChemComp-U5G: boceprevir (bound form)
由来	hepatitis c virus (ウイルス)
キーワード	VIRAL PROTEIN / SERINE PROTEASE / NS3 / NS4A / HEPATITIS C VIRUS / HYDROLASE/HYDROLASE INHIBITOR / ketoamide inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex / HCV / NS3 protease / NS3 protease domain