1jvp

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[[Image:1jvp.gif|left|200px]]
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{{STRUCTURE_1jvp| PDB=1jvp | SCENE= }}
{{STRUCTURE_1jvp| PDB=1jvp | SCENE= }}
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'''Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365'''
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===Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365===
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==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.
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(as it appears on PubMed at http://www.pubmed.gov), where 11755359 is the PubMed ID number.
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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]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 21:59:03 2008''
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''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

Image: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

Page seeded by OCA on Tue Jul 1 21:01:11 2008

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