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 Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
ジャーナル・号・ページ	J. Med. Chem., Vol. 59, Page 1518-1530, Year 2016
掲載日	2015年8月5日 (構造データの登録日)
著者	Hugle, M. / Lucas, X. / Weitzel, G. / Ostrovskyi, D. / Breit, B. / Gerhardt, S. / Einsle, O. / Gunther, S. / Wohlwend, D.
リンク	J. Med. Chem. / PubMed:26731611
手法	X線回折
解像度	1.5 - 2.2 Å
構造データ	PDB-5d24: First bromodomain of BRD4 bound to inhibitor XD26 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5d25: First bromodomain of BRD4 bound to inhibitor XD27 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5d26: First bromodomain of BRD4 bound to inhibitor XD28 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-5d3h: First bromodomain of BRD4 bound to inhibitor XD29 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5d3j: First bromodomain of BRD4 bound to inhibitor XD33 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5d3l: First bromodomain of BRD4 bound to inhibitor XD35 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5d3n: First bromodomain of BRD4 bound to inhibitor XD40 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5d3p: First bromodomain of BRD4 bound to inhibitor XD41 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5d3r: First bromodomain of BRD4 bound to inhibitor XD42 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5d3s: First bromodomain of BRD4 bound to inhibitor XD44 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5d3t: First bromodomain of BRD4 bound to inhibitor XD47 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å
化合物	ChemComp-L26: 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER ChemComp-56M: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-BU3: (R,R)-2,3-BUTANEDIOL / (2R,3R)-2,3-ブタンジオ-ル ChemComp-L28: N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-57G: N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide / N,N-ジエチル-3-[3-エチル-4-(ヒドロキシアセチル)-5-メチル-1H-ピロ-ル-2-イルカルボニルアミノ](以下略) ChemComp-L33: 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide ChemComp-57F: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide ChemComp-L40: 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide ChemComp-57E: 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide ChemComp-NI: NICKEL (II) ION ChemComp-57C: 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide ChemComp-579: 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-56Y*: 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
由来	homo sapiens (ヒト)
キーワード	TRANSCRIPTION / Gene regulation / Inhibitor / bromodomain