2g9x

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[[Image:2g9x.gif|left|200px]]
[[Image:2g9x.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2g9x |SIZE=350|CAPTION= <scene name='initialview01'>2g9x</scene>, resolution 2.50&Aring;
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The line below this paragraph, containing "STRUCTURE_2g9x", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=NU5:3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL'>NU5</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= CDK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]), CCNA2, CCNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 Bos taurus])
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-->
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|DOMAIN=
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{{STRUCTURE_2g9x| PDB=2g9x | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2g9x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2g9x OCA], [http://www.ebi.ac.uk/pdbsum/2g9x PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2g9x RCSB]</span>
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}}
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'''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'''
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[[Category: Endicott, J A.]]
[[Category: Endicott, J A.]]
[[Category: Noble, M E.]]
[[Category: Noble, M E.]]
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[[Category: atp-binding]]
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[[Category: Atp-binding]]
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[[Category: cell cycle]]
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[[Category: Cell cycle]]
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[[Category: phosphorylation]]
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[[Category: Phosphorylation]]
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[[Category: serine/threonine protein kinase]]
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[[Category: Serine/threonine protein kinase]]
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[[Category: transferase]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 04:52:03 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:13:47 2008''
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Revision as of 01:52, 4 May 2008

Image:2g9x.gif

Template:STRUCTURE 2g9x

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


Overview

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.

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 Page seeded by OCA on Sun May 4 04:52:03 2008

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