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	4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
ジャーナル・号・ページ	J. Med. Chem., Vol. 63, Page 15603-15620, Year 2020
掲載日	2019年6月5日 (構造データの登録日)
著者	Hugle, M. / Regenass, P. / Warstat, R. / Hau, M. / Schmidtkunz, K. / Lucas, X. / Wohlwend, D. / Einsle, O. / Jung, M. / Breit, B. / Gunther, S.
リンク	J. Med. Chem. / PubMed:33275431
手法	X線回折
解像度	1.4 - 1.8 Å
構造データ	PDB-6rwj: Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6) 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-6s4b: Crystal Structure of BRD4(1) bound to inhibitor BUX1 (8) 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-6s6k: Crystal Structure of BRD4(1) bound to inhibitor BUX2 (9) 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-6sa2: Crystal Structure of BRD4(1) bound to inhibitor BUX3 (10) 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6sa3: Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13) 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6sah: Crystal Structure of BRD4(1) bound to inhibitor BUX5 (11) 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6saj: Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12) 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6sb8: Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7) 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å
化合物	ChemComp-KLK: ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide ChemComp-HOH: WATER ChemComp-BU3: (R,R)-2,3-BUTANEDIOL / (2R,3R)-2,3-ブタンジオ-ル ChemComp-KUH: ~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide ChemComp-CA: Unknown entry / カルシウムジカチオン ChemComp-KXK: ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide ChemComp-L25: ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide ChemComp-L2N: ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide ChemComp-L2W: ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide ChemComp-L2Z: ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide ChemComp-L45: ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
由来	homo sapiens (ヒト)
キーワード	TRANSCRIPTION / BRD4 / BRD4(1) / INHIBITOR / BROMODOMAIN / EPIGENETIC READER PROTEIN / ACETYLATED / LYSINE / HISTONE TAIL / PROTEIN BINDING-INHIBITOR COMPLEX / BUG0 / fragment / BUX0 / BUX3 / BUX4 / BUX5 / BUX6 / BUX14