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(A) Bound structure of 21 (turquoise sticks, PDB: 8A31) with p53-Y220C (surface representation). (B) Key subsite 3 residues and S–F and C–F distances (Å) are shown (blue dashes). The halogen bond to L145 is shown in orange. (C) Overlaid co-crystal structures of 21 (turquoise sticks) and difluorinated 22 (yellow sticks, PDB: 8A32, chain B) with p53-Y220C (surface representation).
