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 BAZ2A-Bromodomain Hit Compound by Fragment Growing.
ジャーナル・号・ページ	Acs Med. Chem. Lett., Vol. 13, Page 1434-1443, Year 2022
掲載日	2020年12月10日 (構造データの登録日)
著者	Dalle Vedove, A. / Cazzanelli, G. / Batiste, L. / Marchand, J.R. / Spiliotopoulos, D. / Corsi, J. / D'Agostino, V.G. / Caflisch, A. / Lolli, G.
リンク	Acs Med. Chem. Lett. / PubMed:36105334
手法	X線回折
解像度	0.983 - 2.601 Å
構造データ	PDB-7b7b: BAZ2A bromodomain in complex with triazole compound MS04 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-7b7g: BAZ2A bromodomain in complex with compounds MS04 and B11 手法: X-RAY DIFFRACTION / 解像度: 1.428 Å PDB-7b7i: BAZ2A bromodomain in complex with triazole compound MS04-TN02 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-7b82: BAZ2A bromodomain in complex with triazole compound MS04-TN03 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å PDB-7bc2: BAZ2A bromodomain in complex with triazole compound MS04-TN04 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7qvt: BAZ2A bromodomain in complex with picolinamide derivative fragment 13 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-7qvu: BAZ2A bromodomain in complex with acetylpyrrole derivative fragment 25 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-7qvv: BAZ2A bromodomain in complex with pyridone derivative fragment 36 手法: X-RAY DIFFRACTION / 解像度: 2.601 Å PDB-7qwf: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 45 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-7qwu: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 44 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7qwy: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 61 手法: X-RAY DIFFRACTION / 解像度: 2.443 Å PDB-7qx2: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 63 手法: X-RAY DIFFRACTION / 解像度: 1.428 Å PDB-7qx9: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 65 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-7qxl: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 77 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-7qye: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 78 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-7qyo: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 79 手法: X-RAY DIFFRACTION / 解像度: 0.983 Å PDB-7qyt: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 80 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-7qyu: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 88 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-7qyv: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 109 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-7qyw: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 111 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7qz0: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 83 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7qz4: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 87 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7qzb: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 98 手法: X-RAY DIFFRACTION / 解像度: 2.151 Å PDB-7qzc: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 104 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7qzi: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 113 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-7qzt: BAZ2A bromodomain in complex with isoquinoline derivative fragment 9 手法: X-RAY DIFFRACTION / 解像度: 2.183 Å PDB-7r01: BAZ2A bromodomain in complex with N-acetylpiperazine derivative fragment 18 手法: X-RAY DIFFRACTION / 解像度: 2.256 Å PDB-7r0b: BAZ2A bromodomain in complex with acetylpyrrole derivative compound 47 手法: X-RAY DIFFRACTION / 解像度: 2.345 Å
化合物	ChemComp-T1B: 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole ChemComp-HOH: WATER / 水 ChemComp-T1E: 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine ChemComp-T1H: 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide ChemComp-T3H: (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide ChemComp-T8Z: 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル / エチレングリコール ChemComp-FI5: 4-piperidin-4-yloxypyridine-2-carboxamide ChemComp-FIY: 2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-FI9: 5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one ChemComp-FS6: 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone ChemComp-FWR: 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone ChemComp-G0I: 1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone ChemComp-G1U: 1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone ChemComp-G2U: 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione ChemComp-GGQ: 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone ChemComp-GQF: 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone ChemComp-GKI: 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone ChemComp-GJI: 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one ChemComp-GJC: 2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide ChemComp-GJ4: (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide ChemComp-GIJ: (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide ChemComp-GQX: 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine ChemComp-GIZ: 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone ChemComp-GI0: 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one ChemComp-GEJ: (2R)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide ChemComp-GHL: (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide ChemComp-GIU: ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide ChemComp-GI7: 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine ChemComp-GIE: 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
由来	homo sapiens (ヒト)
キーワード	TRANSCRIPTION (転写 (生物学)) / four helical bundle