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	Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
ジャーナル・号・ページ	J. Med. Chem., Vol. 65, Page 4182-4200, Year 2022
掲載日	2020年7月25日 (構造データの登録日)
著者	Karim, R.M. / Yang, L. / Chen, L. / Bikowitz, M.J. / Lu, J. / Grassie, D. / Shultz, Z.P. / Lopchuk, J.M. / Chen, J. / Schonbrunn, E.
リンク	J. Med. Chem. / PubMed:35191694
手法	X線回折
解像度	1.5 - 2.75 Å
構造データ	PDB-7jjg: Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZ20 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7jjh: Crystal structure of the unliganded tandem bromodomain (BD1, BD2) of human TAF1 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7jsp: Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7k03: Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7k0d: Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to mTORC1/2 inhibitor AZD3147 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7k0u: Crystal structure of the second bromodomain (BD2) of human TAF1 bound to PLK1 kinase inhibitor BI2536 手法: X-RAY DIFFRACTION / 解像度: 2.52 Å PDB-7k1p: Crystal structure of the second bromodomain (BD2) of human TAF1 bound to bromosporine 手法: X-RAY DIFFRACTION / 解像度: 2.45 Å PDB-7k27: Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR inhibitor AZ20 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-7k3o: Crystal structure of the unliganded second bromodomain (BD2) of human TAF1 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7k42: Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7k6f: Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid) 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-7l6x: Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to GNE-371 手法: X-RAY DIFFRACTION / 解像度: 2.75 Å
化合物	ChemComp-VCD: 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole / AZ-20 ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-HOH: WATER ChemComp-VJM: 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-VQS: N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea / 1-(2-ヒドロキシエチル)-3-[4-[4-[1-(シクロプロピルスルホニル)シクロプロピル]-6-[(3S)-3-(以下略) ChemComp-R78: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide / BI-2536 ChemComp-BMF: Bromosporine / ブロモスポリン ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-DIO: 1,4-DIETHYLENE DIOXIDE / 1,4-ジオキサン ChemComp-MES: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / 2-モルホリノエタンスルホン酸 / pH緩衝剤YM ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-FMT: FORMIC ACID / ギ酸 ChemComp-G9V: 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
由来	homo sapiens (ヒト)
キーワード	GENE REGULATION / Bromodomain / TAF1 / non-BET / BET / kinase inhibitor / ATR / dual BRD-kinase / transferase-transferase inhibitor complex / transferase / PLK1