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	Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins.
ジャーナル・号・ページ	J. Med. Chem., Vol. 64, Page 10742-10771, Year 2021
掲載日	2021年2月28日 (構造データの登録日)
著者	Harrison, L.A. / Atkinson, S.J. / Bassil, A. / Chung, C.W. / Grandi, P. / Gray, J.R.J. / Levernier, E. / Lewis, A. / Lugo, D. / Messenger, C. ...Harrison, L.A. / Atkinson, S.J. / Bassil, A. / Chung, C.W. / Grandi, P. / Gray, J.R.J. / Levernier, E. / Lewis, A. / Lugo, D. / Messenger, C. / Michon, A.M. / Mitchell, D.J. / Preston, A. / Prinjha, R.K. / Rioja, I. / Seal, J.T. / Taylor, S. / Wall, I.D. / Watson, R.J. / Woolven, J.M. / Demont, E.H.
リンク	J. Med. Chem. / PubMed:34232650
手法	X線回折
解像度	1.28 - 1.735 Å
構造データ	PDB-7npy: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-benzyl-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-2,4-dicarboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.601 Å PDB-7npz: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-N5-cyclopropyl-N3-methyl-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-3,5-dicarboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.28 Å PDB-7nq0: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH oxabicyclo(hexan-6-yl)-N2-methyl-6-((S)-1-phenylethyl)pyridine-2,4-dicarboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-7nq1: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-((S)-hydroxy(phenyl)methyl)-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-2,4-dicarboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7nq2: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N4-cyclopropyl-N2-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.735 Å PDB-7nq3: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N4-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-6-((S)-methoxy(phenyl)methyl)-N2-methylpyridine-2,4-dicarboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.603 Å
化合物	ChemComp-UL5: ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER ChemComp-ULH: ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide ChemComp-PE4: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / ヘプタエチレングリコ-ルモノエチルエ-テル / 沈殿剤YM ChemComp-ULN: ~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide ChemComp-ULK: ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide ChemComp-ULE: ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide ChemComp-ULQ*: 6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
由来	homo sapiens (ヒト)
キーワード	NUCLEAR PROTEIN / INHIBITOR / HISTONE / EPIGENETIC READER / BROMODOMAIN / BRD2 / BROMODOMAIN CONTAINING PROTEIN 2 / ANTAGONIST