Patent ID: 8712749

Claim:
A method for identifying a candidate inhibitor using three-dimensional structure coordinates generated from a human Janus Kinase 3 crystal comprising a human Janus Kinase 3 protein, wherein said human Janus Kinase 3 protein consists of amino acid residues 810-1115 of SEQ ID NO: 1, wherein said human Janus Kinase 3 protein comprises a kinase domain, wherein said human Janus Kinase 3 kinase domain is in complex with a chemical entity selected from the group consisting of adenosine, ATP, an ATP analogue, AMP-PNP, a nucleotide triphosphate, a nucleotide diphosphate, and phosphate, and wherein said method comprises: (a) generating a three-dimensional structure on a computer of a molecular complex comprising a binding site of amino acid residues Gln827, Leu828, Gly829, Lys830, Gly831, Asn832, Phe833, Gly834, Ser835, Val836 Glu837, Leu838, Val852, Ala853, Val854, Lys855, Gln856, Leu857, Val884, Lys885, Tyr886, Leu900, Val901, Met902, Glu903, Tyr904, Leu905, Pro906, Ser907 Gly908, Cys909, Leu910, Arg911, Asp912, His947, Asp949, Leu950, Ala951, Ala952, Arg953, Asn954, Ile955, Leu956, Val957, Ala966, Asp967, Leu970, Glu985, Gln988, Ser989, Pro990 and Trp993 according to Table 2, wherein the root mean square deviation of the backbone atoms is not greater than about 2.5 Å; (b) employing said three-dimensional structure to design or select said candidate inhibitor; and (c) contacting said candidate inhibitor with human Janus Kinase 3 to determine the ability of said candidate inhibitor to bind to human Janus Kinase 3.