Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292

4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid

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.

.1 M MOPS/HEPES-Na pH 7.5
10% w/v PEG 8000
20% v/v ethylene glycol
0.03M sodium fluoride
0.03M sodium bromide
0.03M sodium iodide

Tyrosyl-DNA phosphodiesterase 1 (E.C.3.1.4.-)

fragment-based drug design, HYDROLASE-HYDROLASE INHIBITOR complex