1jvp
From Proteopedia
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Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365
Overview
A 5-aryl-1H-pyrazole molecular scaffold was designed to ligate the ATP, binding site of cyclin dependent kinase 2 (CDK2) on the basis of, crystallographic information. A search of the compound collection of, Novartis using this scaffold as substructure query led to the, identification of PKF049-365 as a representative of a new class of, inhibitors of the cell cycle kinases CDK1/2. The three-dimensional, structure of CDK2 in complex with PKF049-365 was subsequently determined, by protein crystallography and refined to 1.53 A resolution. The X-ray, analysis confirmed the binding mode expected from the design hypothesis., In addition, it revealed an alternative binding orientation involving a, second tautomeric form of the inhibitor that was not envisaged during the, design stage.
About this Structure
1JVP is a Single protein structure of sequence from Homo sapiens with LIG as ligand. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Full crystallographic information is available from OCA.
Reference
Structure-based design and protein X-ray analysis of a protein kinase inhibitor., Furet P, Meyer T, Strauss A, Raccuglia S, Rondeau JM, Bioorg Med Chem Lett. 2002 Jan 21;12(2):221-4. PMID:11755359
Page seeded by OCA on Mon Nov 12 17:44:58 2007
