Skip to main content
. Author manuscript; available in PMC: 2012 Dec 12.
Published in final edited form as: J Med Chem. 2011 Mar 28;54(8):2714–2726. doi: 10.1021/jm101505d

Figure 2.

Figure 2

Structure-based design of conformationally constrained Smac mimetics. (a). Crystal structure of Smac in a complex with XIAP BIR3. For clarity, only the AVPI peptide in Smac is shown. (b). Superposition of the predicted binding model of compound 2 in a complex with BIR3 on the crystal structure of Smac AVPI peptide complexed with XIAP BIR3. The carbon atoms of AVPI peptide and compound 2 are shown in yellow and green, respectively; the nitrogen and oxygen atoms in both ligands are shown in blue and red, respectively. The protein is represented as its solvent accessible surface and colored by atom types (carbon: gray; nitrogen: blue; oxygen: red). Hydrogen bonds are shown in dashed light blue lines.