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 and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
ジャーナル・号・ページ	J. Med. Chem., Vol. 64, Page 14247-14265, Year 2021
掲載日	2021年4月1日 (構造データの登録日)
著者	Gavai, A.V. / Norris, D. / Delucca, G. / Tortolani, D. / Tokarski, J.S. / Dodd, D. / O'Malley, D. / Zhao, Y. / Quesnelle, C. / Gill, P. ...Gavai, A.V. / Norris, D. / Delucca, G. / Tortolani, D. / Tokarski, J.S. / Dodd, D. / O'Malley, D. / Zhao, Y. / Quesnelle, C. / Gill, P. / Vaccaro, W. / Huynh, T. / Ahuja, V. / Han, W.C. / Mussari, C. / Harikrishnan, L. / Kamau, M. / Poss, M. / Sheriff, S. / Yan, C. / Marsilio, F. / Menard, K. / Wen, M.L. / Rampulla, R. / Wu, D.R. / Li, J. / Zhang, H. / Li, P. / Sun, D. / Yip, H. / Traeger, S.C. / Zhang, Y. / Mathur, A. / Huang, C. / Yang, Z. / Ranasinghe, A. / Everlof, G. / Raghavan, N. / Tye, C.K. / Wee, S. / Hunt, J.T. / Vite, G. / Westhouse, R. / Lee, F.Y.
リンク	J. Med. Chem. / PubMed:34543572
手法	X線回折
解像度	1.85 - 2.49 Å
構造データ	PDB-5s9o: CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.49 Å PDB-5s9p: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5s9q: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-5s9r: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å
化合物	ChemComp-YW1: 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER ChemComp-YW4: 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide ChemComp-YW7: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide ChemComp-YWA: 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol ChemComp-IOD: IODIDE ION / ヨ-ジド
由来	homo sapiens (ヒト)
キーワード	CELL CYCLE / HELICAL BUNDLE / ACETYL-LYSINE RECOGNITION / ACETYLATED HISTONE H4 / NUCLEUS / TRANSCRIPTION-TRANSCRIPTION INHIBITOR COMPLEX / BROMODOMAIN-CONTAINING PROTEIN 4 ISOFORM LONG / BRD4 / BROMODOMAIN CONTAINING PROTEIN 4 / CAP / HUNK1 / MCAP / MITOTIC CHROMOSOME ASSOCIATED PROTEIN SGC