N. LaRonde

Structure of an inhibitor bound to the catalytically important divalent metal ion site of afRioK1.

Rio Kinase 1 (RioK1) is an anti-cancer target for colorectal cancer. In pursuit of selective inhibitors of RioK1, small drug-like molecules were identified using computer-aided drug design (CADD). CADD made use of a 3D crystal structure of human RioK1 bound to ADP/Mg2+ and a fragment-based computational method termed S...