Fig. 8.

Specific contacts formed at each end of the MYC G4 provide a rationale for DC-34 as the preferred compound from the benzofuran-containing molecules screened. a–d Expanded views of the DC-34/MYC G4 complex to display interactions at the 5′ (a, c) and 3′ (b, d, e) ends of the MYC G4. The color scheme follows Fig. 7 but with flanking residues gray and oxygen, nitrogen and fluorine in red, navy, and light green. Hydrogen bonds between MYC G4 and DC-34 are indicated by dotted red lines. In e hydrophobic contacts to flanking residues are indicated by gray-dashed lines. f Expanded view of an energy minimized model structure of DC-34/MYC G4 with wild-type guanine substituted for T23