2g9x: Difference between revisions

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[[Image:2g9x.gif|left|200px]]
{{Seed}}
[[Image:2g9x.png|left|200px]]


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{{STRUCTURE_2g9x|  PDB=2g9x  |  SCENE=  }}  
{{STRUCTURE_2g9x|  PDB=2g9x  |  SCENE=  }}  


'''Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271'''
===Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271===




==Overview==
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beta-Piperidinoethylsulfides are oxidized by m-chloroperbenzoic acid to intermediates containing both N-oxide and sulfone functions. These undergo a Cope-type elimination to a vinylsulfone that can be captured by amines to afford beta-aminoethylsulfones. When a beta-aminoethylsulfone group is linked to the 4-position of a phenyl group attached at N-2 of O6-cyclohexylmethylguanine, the resulting derivatives are inhibitors of the cyclin-dependent kinase CDK2. One of the most potent inhibitors (IC50 = 45 nM) contained a N-3-hydroxypropyl group on the aminoethylsulfonyl substituent. The crystal structure of this inhibitor bound to CDK2/cyclin A was determined and shows an unusual network of hydrogen bonds. The synthetic methodology developed can be utilized in multiple-parallel format and has numerous potential applications in medicinal chemistry.
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{{ABSTRACT_PUBMED_16669651}}


==About this Structure==
==About this Structure==
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[[Category: Serine/threonine protein kinase]]
[[Category: Serine/threonine protein kinase]]
[[Category: Transferase]]
[[Category: Transferase]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 04:52:03 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 15:01:00 2008''

Revision as of 12:01, 27 July 2008

File:2g9x.png

Template:STRUCTURE 2g9x

Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271

Template:ABSTRACT PUBMED 16669651

About this Structure

2G9X is a Protein complex structure of sequences from Bos taurus and Homo sapiens. Full crystallographic information is available from OCA.

Reference

Searching for cyclin-dependent kinase inhibitors using a new variant of the cope elimination., Griffin RJ, Henderson A, Curtin NJ, Echalier A, Endicott JA, Hardcastle IR, Newell DR, Noble ME, Wang LZ, Golding BT, J Am Chem Soc. 2006 May 10;128(18):6012-3. PMID:16669651

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