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Toyocamycin docking simulations in different CDKs. (A) Best docking poses of toyocamycin in CDK2 (blue marine), CDK4 (purple), CDK6 (pink), CDK7 (orange), and CDK9 (lime green). (B) Best RMSD poses of toyocamycin within Rio1 kinase crystal pose in the different CDKs. (C) ATP binding site residues interacting with toyocamycin in CDK9 (lime green) and (D) CDK7 (orange) with corresponding interacting residues determined in Rio1-toyocamycin complex (light blue).
