2Z4B: Estrogen Receptor Beta Ligand-Binding Domain Complexed To A Benzopyran Ligand

Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER subtypes alpha and beta in opposite orientations. Here we describe the syntheses of cyclopentanone and cyclohexanone intermediates for SAR studies of the C-ring on the benzopyran scaffold. Modification of the C-ring disrupts binding to ERalpha, thus improving ERbeta selectivity up to 100-fold. X-ray cocrystal structures confirm previously observed binding modes.
PDB ID: 2Z4BDownload
MMDB ID: 54431
PDB Deposition Date: 2007/6/14
Updated in MMDB: 2011/10
Experimental Method:
x-ray diffraction
Resolution: 2.34  Å
Source Organism:
Similar Structures:
Biological Unit for 2Z4B: dimeric; determined by author and by software (PISA,PQS)
Molecular Components in 2Z4B
Label Count Molecule
Proteins (2 molecules)
Estrogen Receptor Beta(Gene symbol: ESR2)
Molecule annotation
Chemicals (2 molecules)
* Click molecule labels to explore molecular sequence information.

Citing MMDB