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	Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
ジャーナル・号・ページ	J. Med. Chem., Vol. 64, Page 3249-3281, Year 2021
掲載日	2021年3月1日 (構造データの登録日)
著者	Aylott, H.E. / Atkinson, S.J. / Bamborough, P. / Bassil, A. / Chung, C.W. / Gordon, L. / Grandi, P. / Gray, J.R.J. / Harrison, L.A. / Hayhow, T.G. ...Aylott, H.E. / Atkinson, S.J. / Bamborough, P. / Bassil, A. / Chung, C.W. / Gordon, L. / Grandi, P. / Gray, J.R.J. / Harrison, L.A. / Hayhow, T.G. / Messenger, C. / Mitchell, D. / Phillipou, A. / Preston, A. / Prinjha, R.K. / Rianjongdee, F. / Rioja, I. / Seal, J.T. / Wall, I.D. / Watson, R.J. / Woolven, J.M. / Demont, E.H.
リンク	J. Med. Chem. / PubMed:33662213
手法	X線回折
解像度	1.6 - 1.734 Å
構造データ	PDB-7nq5: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-(2-(benzyloxy)phenyl)-5-methyl-1H-1,2,4-triazole 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7nq7: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(1-phenylethoxy)benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7nq8: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.602 Å PDB-7nq9: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide 手法: X-RAY DIFFRACTION / 解像度: 1.602 Å PDB-7nqi: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide 手法: X-RAY DIFFRACTION / 解像度: 1.603 Å PDB-7nqj: C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide 手法: X-RAY DIFFRACTION / 解像度: 1.734 Å
化合物	ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル 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-ULB: 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole ChemComp-HOH: WATER ChemComp-UL8: ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide ChemComp-UM5: N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide ChemComp-UMB: 6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide ChemComp-UM8: 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide ChemComp-UME: N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide ChemComp-PEG*: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル
由来	homo sapiens (ヒト)
キーワード	NUCLEAR PROTEIN / INHIBITOR / HISTONE / EPIGENETIC READER / BROMODOMAIN / BRD2 / BROMODOMAIN CONTAINING PROTEIN 2 / ANTAGONIST