Patent ID: 7809541

Claim:
A method for designing, selecting and/or optimizing a chemical entity that binds to all or part of an Aurora-2 kinase binding pocket or protein comprising the steps of: (a) employing the structural coordinates of said Aurora-2 kinase binding pocket or protein according to any one of FIGS. 1-4 to generate a three-dimensional model of said Aurora-2 kinase binding pocket or protein on a computer, wherein said computer comprises the means for generating said three-dimensional model; (b) identifying a binding pocket for said chemical entity, wherein said binding pocket comprises: F133, I135, G136, R137, L139, G140, G142, F144, G145, N146, V147, Y148, L149, A150, R151, E152, I158, L159, A160, L161, K162, V163, V182, E183, Q185, H190, N192, I193, L194, R195, L196, Y197, G198, Y199, F200, V206, Y207, L208, I209, L210, E211, Y212, A213, P214, L215, T217, V218, Y219, R220, E221, D229, E230, Q231, R232, T233, A234, T235, Y236, I237, T238, E239, L240, A241, N242, A243, L244, S245, Y246, C247, H248, S249, K250, R251, V252, I253, H254, R255, D256, I257, K258, P259, E260, N261, L262, L263, L264, G265, S266, G268, E269, L270, K271, I272, A273, D274, F275, W277, S278, or V279 or combinations thereof; and (c) employing the residues identified in (b) to design, select and/or optimize said chemical entity by performing a fitting operation between said chemical entity and said three-dimensional structural information of all or part of said binding pocket or protein.