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 potent iminoheterocycle BACE1 inhibitors.
ジャーナル・号・ページ	Bioorg. Med. Chem. Lett., Vol. 24, Page 5455-5459, Year 2014
掲載日	2014年9月3日 (構造データの登録日)
著者	Caldwell, J.P. / Mazzola, R.D. / Durkin, J. / Chen, J. / Chen, X. / Favreau, L. / Kennedy, M. / Kuvelkar, R. / Lee, J. / McHugh, N. ...Caldwell, J.P. / Mazzola, R.D. / Durkin, J. / Chen, J. / Chen, X. / Favreau, L. / Kennedy, M. / Kuvelkar, R. / Lee, J. / McHugh, N. / McKittrick, B. / Orth, P. / Stamford, A. / Strickland, C. / Voigt, J. / Wang, L. / Zhang, L. / Zhang, Q. / Zhu, Z.
リンク	Bioorg. Med. Chem. Lett. / PubMed:25455483
手法	X線回折
解像度	1.58 - 1.99 Å
構造データ	PDB-4r8y: BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4r91: BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-4r92: BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-4r93: BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-4r95: BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å
化合物	ChemComp-3KO: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one ChemComp-TLA: L(+)-TARTARIC ACID / L-酒石酸 ChemComp-HOH: WATER ChemComp-3KT: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one ChemComp-3KU: N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide ChemComp-779: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea ChemComp-3KW: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one
由来	homo sapiens (ヒト)
キーワード	Hydrolase/Hydrolase Inhibitor / Aspartyl protease / Beta-site amyloid precursor protein cleaving enzyme 1 / Beta-site APP cleaving enzyme 1 / Hydrolase-Hydrolase Inhibitor complex / Aspartic protease