2BSM: Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design

The crystal structure of a previously reported screening hit 1 (CCT018159) bound to the N terminal domain of molecular chaperone Hsp90 has been used to design 5-amide analogues. These exhibit enhanced potency against the target in binding and functional assays with accompanying appropriate cellular pharmacodynamic changes. Compound 11 (VER-49009) compares favorably with the clinically evaluated 17-AAG.
PDB ID: 2BSMDownload
MMDB ID: 34017
PDB Deposition Date: 2005/5/23
Updated in MMDB: 2011/10
Experimental Method:
x-ray diffraction
Resolution: 2.05  Å
Source Organism:
Similar Structures:
Biological Unit for 2BSM: dimeric; determined by author and by software (PQS)
Molecular Components in 2BSM
Label Count Molecule
Proteins (2 molecules)
Heat Shock Protein Hsp90-alpha(Gene symbol: HSP90AA1)
Molecule annotation
Chemicals (2 molecules)
* Click molecule labels to explore molecular sequence information.

Citing MMDB