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	Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
ジャーナル・号・ページ	Acs Med. Chem. Lett., Vol. 7, Page 531-536, Year 2016
掲載日	2016年2月18日 (構造データの登録日)
著者	Taylor, A.M. / Cote, A. / Hewitt, M.C. / Pastor, R. / Leblanc, Y. / Nasveschuk, C.G. / Romero, F.A. / Crawford, T.D. / Cantone, N. / Jayaram, H. ...Taylor, A.M. / Cote, A. / Hewitt, M.C. / Pastor, R. / Leblanc, Y. / Nasveschuk, C.G. / Romero, F.A. / Crawford, T.D. / Cantone, N. / Jayaram, H. / Setser, J. / Murray, J. / Beresini, M.H. / de Leon Boenig, G. / Chen, Z. / Conery, A.R. / Cummings, R.T. / Dakin, L.A. / Flynn, E.M. / Huang, O.W. / Kaufman, S. / Keller, P.J. / Kiefer, J.R. / Lai, T. / Li, Y. / Liao, J. / Liu, W. / Lu, H. / Pardo, E. / Tsui, V. / Wang, J. / Wang, Y. / Xu, Z. / Yan, F. / Yu, D. / Zawadzke, L. / Zhu, X. / Sims, R.J. / Cochran, A.G. / Bellon, S. / Audia, J.E. / Magnuson, S. / Albrecht, B.K.
リンク	Acs Med. Chem. Lett. / PubMed:27190605
手法	X線回折
解像度	1.05 - 1.5218 Å
構造データ	PDB-5i83: Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986 手法: X-RAY DIFFRACTION / 解像度: 1.35 Å PDB-5i86: Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5i89: Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-5i8b: CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) 手法: X-RAY DIFFRACTION / 解像度: 1.5218 Å PDB-5i8g: CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å
化合物	ChemComp-SCN: THIOCYANATE ION / チオシアン酸アニオン ChemComp-68Y: (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one ChemComp-HOH: WATER ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-69A: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-CA: Unknown entry / カルシウムジカチオン ChemComp-69B: (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one ChemComp-ZN: Unknown entry ChemComp-69F: (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one ChemComp-B3P: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / 2,2′-(トリメチレンビスイミノ)ビス[2-(ヒドロキシメチル)プロパン-1,3-ジオ-ル] / pH緩衝剤YM ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-69E*: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
由来	homo sapiens (ヒト)
キーワード	PROTEIN BINDING/INHIBITOR / bromodomain inhibitor / PROTEIN BINDING-INHIBITOR complex / Transcription/Protein Binding / CREBBP / bromodomain / epigenetics / structure-based drug design / Transcription-Protein Binding complex