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Since there are no available crystallographic structures of antagonists bound to TR, a partial homology model of the LBD of TR/3 in the antagonist conformation was constructed using the crystallographic structure of hTRβ/3-[3,5-dibromo-4-(3-isopropyl-4-methoxyphenoxy)phenyl]propionate (7), (in which H12 adopts the canonical agonist conformation; PDB accession code 2j4a) and hRAR-α/BMS-614 (where H12 in an antagonist orientation; PDB accession code IDKF). The experimental procedure can be found in the Supporting Information.
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