Patent ID: 6128582
Filing Date: 2000-10-03
Classification: A61P,C07K,C12N,C12Q,C12Y,G16C

Abstract:
A computer for producing a three-dimensional representation of a molecule or molecular complex, wherein said molecule or molecular complex comprises a binding pocket defined by structure coordinates of IMPDH amino acids 68, 69, 93, 273, 274, 275, 276, 277, 303, 322, 324, 325, 326, 327, 328, 330, 331, 332, 333, 334, 337, 339, 340, 364, 413, 414, 415, 416, 420, 439, 440, 441, 442, 469, and 470 in FIG. 1, or a three-dimensional representation of a homologue of said molecule or molecular complex, wherein said homologue comprises a binding pocket that has a root mean square deviation from the backbone atoms of said amino acids of not more than 1.5 .ANG. wherein said computer comprises:(a) a machine-readable data storage medium comprising a data storage material encoded with machine-readable data, wherein said data comprises the structure coordinates of IMPDH amino acids 68, 69, 93, 273, 274, 275, 276, 277, 303, 322, 324, 325, 326, 327, 328, 330, 331, 332, 333, 334, 337, 339, 340, 364, 413, 414, 415, 416, 420, 439, 440, 441, 442, 469, and 470 according to FIG. 1;(b) a working memory for storing instructions for processing said machine-readable data;(c) a central-processing unit coupled to said working memory and to said machine-readable data storage medium for processing said machine readable data into said three-dimensional representation; and(d) a display coupled to said central-processing unit for displaying said three-dimensional representation.