This PDF file includes:

• Supplementary Materials and Methods
• Fig. S1. Searching for critical residues on the Hsp90-Cdc37 binding interface through MD simulation calculation.
• Fig. S2. Identification of critical residues on Hsp90-Cdc37 binding interface.
• Fig. S3. The rational design and discovery of Hsp90-Cdc37 PPI inhibitors.
• Fig. S4. Synthetic scheme and binding site characterization of DDO-5936.
• Fig. S5. DDO-5936 bound to Hsp90 in cells and the antiproliferative activities of DDO-5936 were correlated with the protein expression level of Hsp90 and Cdc37.
• Fig. S6. Quantification of protein expression in Fig. 4 (A and B).
• Fig. S7. Histological morphology of H&E-stained tissues sections of representative nude mice and PK/PD studies of DDO-5936.
• Fig. S8. ¹H NMR spectrum and ¹³C NMR spectrum of DDO-5936.
• Table S1. The change of Gibbs free energy from calculation and experimental results.
• Table S2. ATPase inhibition of DDO-5936 on cell cycle–related kinases by enzyme assays.

Download PDF