2btr

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[[Image:2btr.gif|left|200px]]
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{{STRUCTURE_2btr| PDB=2btr | SCENE= }}
{{STRUCTURE_2btr| PDB=2btr | SCENE= }}
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'''STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873'''
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===STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873===
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==Overview==
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N-(5-Bromo-1,3-thiazol-2-yl)butanamide (compound 1) was found active (IC50=808 nM) in a high throughput screening (HTS) for CDK2 inhibitors. By exploiting crystal structures of several complexes between CDK2 and inhibitors and applying structure-based drug design (SBDD), we rapidly discovered a very potent and selective CDK2 inhibitor 4-[(5-isopropyl-1,3-thiazol-2-yl)amino] benzenesulfonamide (compound 4, IC50=20 nM). The syntheses, structure-based analog design, kinases inhibition data and X-ray crystallographic structures of CDK2/inhibitor complexes are reported.
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(as it appears on PubMed at http://www.pubmed.gov), where 16260160 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16260160}}
==About this Structure==
==About this Structure==
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[[Category: Serine/threonine-protein 2 kinase]]
[[Category: Serine/threonine-protein 2 kinase]]
[[Category: Transferase]]
[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 20:47:15 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 09:38:02 2008''

Revision as of 06:38, 28 July 2008

Image:2btr.png

Template:STRUCTURE 2btr

STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873

Template:ABSTRACT PUBMED 16260160

About this Structure

2BTR is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure-based drug design to the discovery of new 2-aminothiazole CDK2 inhibitors., Vulpetti A, Casale E, Roletto F, Amici R, Villa M, Pevarello P, J Mol Graph Model. 2006 Mar;24(5):341-8. Epub 2005 Nov 2. PMID:16260160

Page seeded by OCA on Mon Jul 28 09:38:02 2008

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