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	From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
ジャーナル・号・ページ	J. Med. Chem., Vol. 54, Page 5836-5857, Year 2011
掲載日	2011年5月2日 (構造データの登録日)
著者	Cheng, Y. / Judd, T.C. / Bartberger, M.D. / Brown, J. / Chen, K. / Fremeau, R.T. / Hickman, D. / Hitchcock, S.A. / Jordan, B. / Li, V. ...Cheng, Y. / Judd, T.C. / Bartberger, M.D. / Brown, J. / Chen, K. / Fremeau, R.T. / Hickman, D. / Hitchcock, S.A. / Jordan, B. / Li, V. / Lopez, P. / Louie, S.W. / Luo, Y. / Michelsen, K. / Nixey, T. / Powers, T.S. / Rattan, C. / Sickmier, E.A. / St Jean, D.J. / Wahl, R.C. / Wen, P.H. / Wood, S.
リンク	J. Med. Chem. / PubMed:21707077
手法	X線回折
解像度	2.3 - 2.76 Å
構造データ	PDB-3rsv: Structure of Bace-1 (Beta-Secretase) in complex with (R)-3-(2-amino-6-o-tolylquinolin-3-yl)-N-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methylpropanamide 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-3rsx: Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.48 Å PDB-3rth: Structure of Bace-1 (Beta-Secretase) in Complex with 6-(2-(3,3-Dimethylbut-1-ynyl)phenyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-3rtm: Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide 手法: X-RAY DIFFRACTION / 解像度: 2.76 Å PDB-3rtn: Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Amino-6-o-tolylquinolin-3-yl)-N-cyclohexylpropanamide 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-3ru1: Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-3rvi: Structure of Bace-1 (Beta-Secretase) in Complex with 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å
化合物	ChemComp-IOD: IODIDE ION / ヨ-ジド ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-3RS: (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide ChemComp-HOH: WATER ChemComp-RSV: 6-(thiophen-3-yl)quinolin-2-amine ChemComp-RTH: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine ChemComp-RTM: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide ChemComp-RTN: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide ChemComp-3RU: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide ChemComp-RVI: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide
由来	homo sapiens (ヒト)
キーワード	Hydrolase/Hydrolase Inhibitor / Hydrolase-Hydrolase Inhibitor complex / ASPARTIC PROTEASE / ASPARTYL PROTEASE