1. Docking validation of Dud778-dUTPase cocrystal structure.
Docking validation of Dud778-dUTPase cocrystal structure. A, Dud778 as observed in the X-ray structure (1Q5H; green). The atom-type colored conformation of Dud778 is predicted by Genetic Optimization for Ligand Docking. B, superimposition of a representative compound, colored by atom type, with X-ray determined Dud778 conformation (green). The compound was selected from database screening that favorably interacts with the ligand binding domain by efficiently filling the deep cavity.
Peter M. Wilson et al. Mol Cancer Ther 2008;7:
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