Science Advances

Supplementary Materials

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.

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