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. Author manuscript; available in PMC: 2020 Nov 27.
Published in final edited form as: J Med Chem. 2019 Nov 8;62(22):10098–10107. doi: 10.1021/acs.jmedchem.9b00456

Figure 1.

Figure 1.

Cyclic CPP-stapled peptide conjugates. (A,B) Peptide stapling with a DK linker and conjugation to CPP at its N- or C-terminus. (C) Simultaneous stapling and conjugation to a CPP with a BBA staple. (D) Binding mode of stapled peptide-CPP conjugate 4 in complex with MDM2 as derived from MD simlations starting from PDBID:3EQS. (E) Binding mode of peptide 9 in complex with β-catenin derived from PDBID: 1QZ7. For (D) and (E), carbons in the stapled peptide are colored pink, while carbons in the transporter sequence are colored light blue, and the protein van der Waals surface is colored tan. Nitrogens, oxygens and polar hydrogens are depicted in blue, red, and white, respectively.