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 Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
ジャーナル・号・ページ	J. Med. Chem., Vol. 53, Page 951-965, Year 2010
掲載日	2009年12月21日 (構造データの登録日)
著者	Zhu, Z. / Sun, Z.Y. / Ye, Y. / Voigt, J. / Strickland, C. / Smith, E.M. / Cumming, J. / Wang, L. / Wong, J. / Wang, Y.S. ...Zhu, Z. / Sun, Z.Y. / Ye, Y. / Voigt, J. / Strickland, C. / Smith, E.M. / Cumming, J. / Wang, L. / Wong, J. / Wang, Y.S. / Wyss, D.F. / Chen, X. / Kuvelkar, R. / Kennedy, M.E. / Favreau, L. / Parker, E. / McKittrick, B.A. / Stamford, A. / Czarniecki, M. / Greenlee, W. / Hunter, J.C.
リンク	J. Med. Chem. / PubMed:20043696
手法	X線回折
解像度	1.53 - 2 Å
構造データ	PDB-3l58: Structure of BACE Bound to SCH589432 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-3l59: Structure of BACE Bound to SCH710413 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-3l5b: Structure of BACE Bound to SCH713601 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-3l5c: Structure of BACE Bound to SCH723871 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-3l5d: Structure of BACE Bound to SCH723873 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-3l5e: Structure of BACE Bound to SCH736062 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å PDB-3l5f: Structure of BACE Bound to SCH736201 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å
化合物	ChemComp-CS5: N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE ChemComp-HOH: WATER ChemComp-TAR: D(-)-TARTARIC ACID / D-酒石酸 ChemComp-BDJ: (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one ChemComp-BDO: (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one ChemComp-BDQ: 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea ChemComp-BDV: 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea ChemComp-BDW: (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one ChemComp-BDX: (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
由来	homo sapiens (ヒト)
キーワード	HYDROLASE / BACE1 / Alzheimers / Alternative splicing / Aspartyl protease / Disulfide bond / Endoplasmic reticulum / Endosome / Glycoprotein / Golgi apparatus / Membrane / Polymorphism / Protease / Transmembrane / Zymogen