Figure 12.

Close-up views of the crystal structures of Keap1 with (A) compounds 1, 2, and 39 and (B) compounds 60, 63, and 64. Dissociation constants and thermodynamic profiles determined by ITC for the formation of each complex are shown below the structures. A bound water molecule that bridges S508 and R415 in the complexes with 1, 2, and 39 is shown as a red sphere. Keap1 is shown as a white surface with oxygen atoms in red and nitrogen atoms in blue, selected Keap1 residues are shown as orange sticks, and polar contacts are shown as yellow dashed lines.