Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	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.
Journal, issue, pages	Nucleic Acids Res., Vol. 47, Page 10134-10150, Year 2019
Publish date	May 21, 2018 (structure data deposition date)
Authors	Lountos, G.T. / Zhao, X.Z. / Kiselev, E. / Tropea, J.E. / Needle, D. / Pommier, Y. / Burke, T.R. / Waugh, D.S.
External links	Nucleic Acids Res. / PubMed:31199869
Methods	X-ray diffraction
Resolution	1.501 - 1.918 Å
Structure data	PDB-6dhu: Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak Method: X-RAY DIFFRACTION / Resolution: 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 Method: X-RAY DIFFRACTION / Resolution: 1.78 Å PDB-6dih: Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound PH004941 Method: X-RAY DIFFRACTION / Resolution: 1.78 Å PDB-6dim: Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak Method: X-RAY DIFFRACTION / Resolution: 1.81 Å PDB-6djd: Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak) Method: X-RAY DIFFRACTION / Resolution: 1.777 Å PDB-6dje: Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 Method: X-RAY DIFFRACTION / Resolution: 1.705 Å PDB-6djf: Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 Method: X-RAY DIFFRACTION / Resolution: 1.67 Å PDB-6djg: Crystal structure of Tdp1 catalytic domain in complex with compound XZ503 Method: X-RAY DIFFRACTION / Resolution: 1.88 Å PDB-6djh: Crystal structure of Tdp1 catalytic domain in complex with compound XZ515 Method: X-RAY DIFFRACTION / Resolution: 1.918 Å PDB-6dji: Crystal structure of Tdp1 catalytic domain in complex with compound XZ522 Method: X-RAY DIFFRACTION / Resolution: 1.75 Å PDB-6djj: Crystal structure of Tdp1 catalytic domain in complex with compound XZ532 Method: X-RAY DIFFRACTION / Resolution: 1.741 Å PDB-6mj5: Crystal structure of Tdp1 catalytic domain in complex with compound XZ519 Method: X-RAY DIFFRACTION / Resolution: 1.853 Å PDB-6n17: Crystal structure of Tdp1 catalytic domain in complex with compound XZ577 Method: X-RAY DIFFRACTION / Resolution: 1.639 Å PDB-6n19: Crystal structure of Tdp1 catalytic domain in complex with compound XZ578 Method: X-RAY DIFFRACTION / Resolution: 1.501 Å
Chemicals	ChemComp-GHM: benzene-1,2,4-tricarboxylic acid ChemComp-EDO: 1,2-ETHANEDIOL / Ethylene glycol ChemComp-HOH: WATER / Water ChemComp-GJS: 4-hydroxybenzene-1,2-dicarboxylic acid ChemComp-GJP: 4-hydroxyquinoline-3-carboxylic acid 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 ChemComp-GM7: 4-aminobenzene-1,2-dicarboxylic acid ChemComp-JTA: 4-hydroxy-8-nitroquinoline-3-carboxylic acid ChemComp-K8Y: 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, precipitantYM / Dimethyl sulfoxide ChemComp-K8V*: 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid
Source	homo sapiens (human)
Keywords	hydrolase/hydrolase inhibitor / fragment-based drug design / hydrolase-hydrolase inhibitor complex / HYDROLASE / DNA BINDING PROTEIN / fragment based drug design / anti-cancer drug design