Journal:JMedChem:1

Structure of estradiol metal chelate and estrogen receptor complex: The basis for designing a new class of SERMs

Min-Jun Li, Harry M Greenblatt, Orly Dym, Shira Albeck, Adi Pais, Chidambaram Gunanathan, David Milstein, Hadassa Degani, and Joel L. Sussman

Molecular Tour

Selective modulators, such as estradiol 17-derived metal complexes, have been synthesized as targeted probes for the diagnosis and treatment of breast cancer. Here, we report the detailed 3D structure of estrogen receptor α ligand-binding domain (ER-LBD) bound with a novel at 2.6 resolution. The residues with estrogen receptor. of this structure with the structure of native ligand 17β-estradiol (E2) in the complex of E2/ERα-LBD complex (1ere) reveals that the . of EEu/ERα-LBD complex on OHT/ERα-LBD complex (3ert). and residues within the OHT/ERα-LBD complex. This structure provides important information pertinent to the design of novel functional ER targeted probes for clinical applications.