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 a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
ジャーナル・号・ページ	J. Med. Chem., Vol. 63, Page 714-746, Year 2020
掲載日	2019年12月15日 (構造データの登録日)
著者	Wellaway, C.R. / Amans, D. / Bamborough, P. / Barnett, H. / Bit, R.A. / Brown, J.A. / Carlson, N.R. / Chung, C.W. / Cooper, A.W.J. / Craggs, P.D. ...Wellaway, C.R. / Amans, D. / Bamborough, P. / Barnett, H. / Bit, R.A. / Brown, J.A. / Carlson, N.R. / Chung, C.W. / Cooper, A.W.J. / Craggs, P.D. / Davis, R.P. / Dean, T.W. / Evans, J.P. / Gordon, L. / Harada, I.L. / Hirst, D.J. / Humphreys, P.G. / Jones, K.L. / Lewis, A.J. / Lindon, M.J. / Lugo, D. / Mahmood, M. / McCleary, S. / Medeiros, P. / Mitchell, D.J. / O'Sullivan, M. / Le Gall, A. / Patel, V.K. / Patten, C. / Poole, D.L. / Shah, R.R. / Smith, J.E. / Stafford, K.A.J. / Thomas, P.J. / Vimal, M. / Wall, I.D. / Watson, R.J. / Wellaway, N. / Yao, G. / Prinjha, R.K.
リンク	J. Med. Chem. / PubMed:31904959
手法	X線回折
解像度	1.299 - 2.26 Å
構造データ	PDB-6tpx: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-6tpy: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6tpz: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one 手法: X-RAY DIFFRACTION / 解像度: 1.299 Å PDB-6tq1: N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6tq2: N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(4-(4-fluorophenyl)-1H-imidazol-5-yl)-1-methylpyridin-2(1H)-one 手法: X-RAY DIFFRACTION / 解像度: 2.26 Å
化合物	ChemComp-NUW: 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER ChemComp-NUB: 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one ChemComp-NV2: 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-NUH: 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one ChemComp-NUQ: 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one
由来	homo sapiens (ヒト)
キーワード	TRANSCRIPTION / INHIBITOR / HISTONE / EPIGENETIC READER / BROMODOMAIN / BRD4 / BROMODOMAIN CONTAINING PROTEIN 4 / ANTAGONIST