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Fig. 3 | BMC Chemistry

Fig. 3

From: Leveraging structural and 2D-QSAR to investigate the role of functional group substitutions, conserved surface residues and desolvation in triggering the small molecule-induced dimerization of hPD-L1

Fig. 3

Structural comparison of the protein ligand complexes. a The binding geometry of the 5J89LIG ligand in the 5J89 crystal structure, b–d the predicted binding geometries of the corresponding ligands within the PD-L1 binding sites. Ligand atoms are shown in the blue and sticks representation (carbon: pink, oxygen:red, nitrogen:blue, hydrogen: white), receptor atoms are displayed in the stick representation (carbon: grey, oxygen:red, nitrogen:blue, hydrogen: white)

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