2026-10-14T14:38:14Z https://www.scidb.cn/oai

10.11922/sciencedb.01538 2022-02-23T18:36:57Z

2022-02-23 PD-L1_SMIs doi:10.11922/sciencedb.01538 en 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); PDB-files; PD-L1_SMIs; Structures Valery Veresov Viktor Urban Polina Nazarenko Stanislav Perepechko PUBLIC https://creativecommons.org/publicdomain/zero/1.0/ dataset http://www.doi.org/10.1080/08927022.2022.2080824 Science Data Bank