1jvp is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.
Publication Abstract from PubMed
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.
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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
↑ Furet P, Meyer T, Strauss A, Raccuglia S, Rondeau JM. Structure-based design and protein X-ray analysis of a protein kinase inhibitor. Bioorg Med Chem Lett. 2002 Jan 21;12(2):221-4. PMID:11755359
