PD-L1_SMIs

Viktar A. Urban, Polina S. Nazarenko, Stanislav A. Perepechko, Valery G.Veresov  ‘Using PD-L1 Full-Length Structure, Enhanced Induced Fit Docking and Molecular Dynamics Simulations for Structural Insights into Inhibition of PD-1/PD-L1 Interaction by Small-Molecule Ligands’  Supplementary Material Description  Molecular models (in PDB-format) of the 3D-structures of the following complexes come with the submission: (1)            The 3D-structure of the PD-L1-dimer-BMS-1016 complex (SM1_PD-L1-BMS1016_mmpbsa);(2)            The 3D-structure of the PD-L1-dimer-BMS-2007 complex (SM2_PD-L1-BMS2007_mmpbsa);(3)             The 3D-structure of the PD-L1-dimer-BMS-4121 complex (SM3_PD-L1-BMS4121_mmpbsa);(4)             The 3D-structure of the PD-L1-dimer-BMS-40210 complex (SM4_PD-L1-BMS40210_mmpbsa);