Protein Structure from Scientific Research

Crystal structure of the compound 9 (cyan)-bound TNIK kinase domain (PDB 5AX9 ) aligned with the predicted binding mode of INS018_055 (green). Differences in Met gatekeeper orientations between inhibitors bound to the TNIK kinase domain are depicted, with Met side chain color corresponding to ligand color (cyan, green). The hinge region is shaded orange. Key ligand interactions are marked with dashed lines in the ligand color (cyan, green). The conservative E91–K72 salt bridge is shown as a yellow dashed line. Ligands and key pocket residues are represented as sticks.

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