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 ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
ジャーナル・号・ページ	Nucleic Acids Res., Vol. 47, Page 10134-10150, Year 2019
掲載日	2018年5月21日 (構造データの登録日)
著者	Lountos, G.T. / Zhao, X.Z. / Kiselev, E. / Tropea, J.E. / Needle, D. / Pommier, Y. / Burke, T.R. / Waugh, D.S.
リンク	Nucleic Acids Res. / PubMed:31199869
手法	X線回折
解像度	1.501 - 1.918 Å
構造データ	PDB-6dhu: Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-6die: Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-6dih: Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound PH004941 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-6dim: Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å PDB-6djd: Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak) 手法: X-RAY DIFFRACTION / 解像度: 1.777 Å PDB-6dje: Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 手法: X-RAY DIFFRACTION / 解像度: 1.705 Å PDB-6djf: Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-6djg: Crystal structure of Tdp1 catalytic domain in complex with compound XZ503 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-6djh: Crystal structure of Tdp1 catalytic domain in complex with compound XZ515 手法: X-RAY DIFFRACTION / 解像度: 1.918 Å PDB-6dji: Crystal structure of Tdp1 catalytic domain in complex with compound XZ522 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-6djj: Crystal structure of Tdp1 catalytic domain in complex with compound XZ532 手法: X-RAY DIFFRACTION / 解像度: 1.741 Å PDB-6mj5: Crystal structure of Tdp1 catalytic domain in complex with compound XZ519 手法: X-RAY DIFFRACTION / 解像度: 1.853 Å PDB-6n17: Crystal structure of Tdp1 catalytic domain in complex with compound XZ577 手法: X-RAY DIFFRACTION / 解像度: 1.639 Å PDB-6n19: Crystal structure of Tdp1 catalytic domain in complex with compound XZ578 手法: X-RAY DIFFRACTION / 解像度: 1.501 Å
化合物	ChemComp-GHM: benzene-1,2,4-tricarboxylic acid / 1,2,4-ベンゼントリカルボン酸 ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER ChemComp-GJS: 4-hydroxybenzene-1,2-dicarboxylic acid / 4-ヒドロキシフタル酸 ChemComp-GJP: 4-hydroxyquinoline-3-carboxylic acid / 1,4-ジヒドロ-4-オキソキノリン-3-カルボン酸 ChemComp-GNY: 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid ChemComp-GNV: 4-hydroxyquinoline-3,8-dicarboxylic acid ChemComp-GNJ: 4-hydroxy-8-sulfoquinoline-3-carboxylic acid ChemComp-GNM: 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ChemComp-GOG: 3-hydroxybenzene-1,2-dicarboxylic acid / 3-ヒドロキシフタル酸 ChemComp-GM7: 4-aminobenzene-1,2-dicarboxylic acid / 4-アミノフタル酸 ChemComp-JTA: 4-hydroxy-8-nitroquinoline-3-carboxylic acid ChemComp-K8Y: 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-K8V*: 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid
由来	homo sapiens (ヒト)
キーワード	hydrolase/hydrolase inhibitor / fragment-based drug design / hydrolase-hydrolase inhibitor complex / HYDROLASE / DNA BINDING PROTEIN / fragment based drug design / anti-cancer drug design