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Structure paper
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.
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
hydrolase/hydrolase inhibitor / fragment-based drug design / hydrolase-hydrolase inhibitor complex / HYDROLASE / DNA BINDING PROTEIN / fragment based drug design / anti-cancer drug design
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