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Predicted binding mode of compound 1 (A), 2 (B), and 3 (C) within the amphipathic groove of 14-3-3σ. The crystallographic structure of the protein coded by PDB ID: 1YWT is shown as green cartoon; residues within 4 Å from the ligands are shown as lines and are labeled. Ligand/protein polar contacts are highlighted by black dashed lines. Ligands are shown as yellow sticks.
