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. Author manuscript; available in PMC: 2016 Nov 7.
Published in final edited form as: J Med Chem. 2015 Oct 12;58(20):8285–8291. doi: 10.1021/acs.jmedchem.5b01216

Figure 4.

Figure 4

(A) Crystal structure of PDK1 bound to compound 4. Electron density is shown for the ligand (green, Fo – Fc omit map, 3σ) and for key interacting residues (blue, 2Fo – Fc map, 1.25σ). (B) Overlap of the crystallographic binding pose and the docking pose for compound 4, following least-squares superposition of the PDK1 atoms.