1jvp: Difference between revisions

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[[Image:1jvp.gif|left|200px]]
{{Seed}}
[[Image:1jvp.png|left|200px]]


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{{STRUCTURE_1jvp|  PDB=1jvp  |  SCENE=  }}  
{{STRUCTURE_1jvp|  PDB=1jvp  |  SCENE=  }}  


'''Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365'''
===Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365===




==Overview==
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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.
The line below this paragraph, {{ABSTRACT_PUBMED_11755359}}, adds the Publication Abstract to the page
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{{ABSTRACT_PUBMED_11755359}}


==About this Structure==
==About this Structure==
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[[Category: Enzyme inhibitor]]
[[Category: Enzyme inhibitor]]
[[Category: Protein kinase]]
[[Category: Protein kinase]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 21:59:03 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 21:01:11 2008''

Revision as of 18:01, 1 July 2008

File:1jvp.png

Template:STRUCTURE 1jvp

Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365

Template:ABSTRACT PUBMED 11755359

About this Structure

1JVP is a Single protein structure of sequence from Homo sapiens. 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

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