Figure 3.

Comparison of the gatekeeper Met146 orientation and the Gly-rich loop positioning upon JNK3 inhibitor binding with other ligand-bound JNK3 structures. Overlay of the JNK3-44 complex structure (light green), the JNK3-38 complex structure (light red), the AMP–PCP-bound JNK3 structure (light orange), and the 1PMN structure reported by Scapin, et al.³⁷ (blue). The superposition was performed using the “align” function in PyMOL. The side chains of the gatekeeper Met146 and the Gly-rich loop are highlighted. Only compounds 38 and 44 are shown for the sake of clarity.