Modulating nuclear receptor coactivator binding

A machine-readable data storage medium, comprising a data storage material encoded with machine readable data which, when using a machine programmed with instructions for using said data, is capable of displaying a graphical three-dimensional representation of a molecular complex of a compound bound to a nuclear receptor coactivator binding site comprising structure coordinates of amino acids corresponding to human thyroid receptor amino acids selected from the group consisting of helix 3 residues Ile280, Thr281, Val283, Val284, Ala287, and Lys288, helix 4 residue Phe293, helix 5 residues Gln301, Ile302, Leu305, Lys306, helix 6 residue Cys309, and helix 12 residues Pro453, Leu454, Glu457, Val458 and Phe459, or a homologue of said molecular complex, wherein said homologue comprises a coactivator binding site that has a root mean square deviation from the backbone atoms of said amino acids of not more than 1.5 Å.

A machine-readable data storage medium comprising a data storage material encoded with a first set of machine readable data which, when combined with a second set of machine readable data, using a machine programmed with instructions for using said first set of data and said second set of data, can determine at least a portion of the structure coordinates corresponding to the second set of machine readable data, wherein:

• said first set of data comprises a Fourier transform of at least a portion of the structural coordinates selected from the group consisting of coordinates depicted in Appendix 1;
• and said second set of data comprises an X-ray diffraction pattern of a molecule or molecular complex.