(a) The structure of the oxabicyclic diarlyethylene compound/ERα LBD is shown as a ribbon diagram, with the ligand and selected residues in the ligand binding pocket shown as sticks.
(b) The structures of ERα Tyr-537-Ser bound to the indicated ligands were each superimposed with the structure bound to the full agonist, ether estradiol compound (38), using all of the main chain atoms. Shown are selected residues in the pocket, and alpha carbon traces for helices 11 and 12. The ether estradiol bound structure is colored green (ligand not shown), and the NFκB selective structures, and compounds, are colored gray. The red arrows denote the shifts in helix 11 induced by the NFκB selective compounds.