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. Author manuscript; available in PMC: 2020 Mar 15.
Published in final edited form as: Bioorg Med Chem Lett. 2019 Jan 24;29(6):786–790. doi: 10.1016/j.bmcl.2019.01.028

Figure 3:

Figure 3:

A) Overlay of fragments 1, 3 and 9 PD-L1 co-crystal structures. B) Fragments occupy the PD-1 binding site of PD-L1. PD-1 (blue cartoon PDB: 4ZQK) clashes with fragments shown on monomer A. Monomer B of the PD-L1 dimer is indicated by transparent surface. C and D) Highlighted binding pose of fragment 1 on monomer B (gold) and monomer A (gray). Residues in contact with fragment 1 are shown as sticks. PBD codes: Fragment 1: 6NM7, fragment 3 6NOJ: fragment 9: 6NOS.