Supplementary Figure 4 from RKI-1447 Is a Potent Inhibitor of the Rho-Associated ROCK Kinases with Anti-Invasive and Antitumor Activities in Breast Cancer

PDF file, 131K, Molecular mode of action of RKI-1447. Interaction of the ATP site of Rock1 kinase in complex with RKI-1447 determined by X-ray crystallography at 2.9 � resolution. The hinge region is indicated in orange, the DFG motif in cyan, and RKI-1447 in yellow. Displayed in red is the Fo-Fc electron density map contoured at 2.5σ around the RKI-1447 inhibitor which was omitted during refinement. Potential hydrogen bonding and van der Waal interactions are shown as black and green dotted lines, respectively.