2vv9

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[[Image:2vv9.png|left|200px]]
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==CDK2 IN COMPLEX WITH AN IMIDAZOLE PIPERAZINE==
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<StructureSection load='2vv9' size='340' side='right' caption='[[2vv9]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2vv9]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VV9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VV9 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=IM9:2-{4-[4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)PHENYL]PIPERAZIN-1-YL}-2-OXOETHANOL'>IM9</scene><br>
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<tr><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1pye|1pye]], [[1h08|1h08]], [[2vth|2vth]], [[2b53|2b53]], [[1v1k|1v1k]], [[1okv|1okv]], [[1h25|1h25]], [[1ke7|1ke7]], [[1pxk|1pxk]], [[2bhh|2bhh]], [[2vta|2vta]], [[2uue|2uue]], [[1gz8|1gz8]], [[1e1v|1e1v]], [[1ol2|1ol2]], [[1h27|1h27]], [[1jsv|1jsv]], [[2b52|2b52]], [[1ke5|1ke5]], [[1fin|1fin]], [[2c5o|2c5o]], [[2c68|2c68]], [[2vtt|2vtt]], [[1p2a|1p2a]], [[2vtq|2vtq]], [[2c4g|2c4g]], [[1w0x|1w0x]], [[1h1q|1h1q]], [[1pxo|1pxo]], [[1ke9|1ke9]], [[2a0c|2a0c]], [[1hck|1hck]], [[1jsu|1jsu]], [[1pxn|1pxn]], [[2uze|2uze]], [[2vtm|2vtm]], [[2v0d|2v0d]], [[1oiq|1oiq]], [[1h1r|1h1r]], [[2iw8|2iw8]], [[1pw2|1pw2]], [[1gih|1gih]], [[1hcl|1hcl]], [[2vtn|2vtn]], [[1jst|1jst]], [[1oiu|1oiu]], [[1b38|1b38]], [[1pxm|1pxm]], [[1fq1|1fq1]], [[1vyw|1vyw]], [[1h1p|1h1p]], [[2c69|2c69]], [[1urc|1urc]], [[1pxi|1pxi]], [[2c6i|2c6i]], [[1ykr|1ykr]], [[2uzd|2uzd]], [[2c5y|2c5y]], [[2c6k|2c6k]], [[1wcc|1wcc]], [[2j9m|2j9m]], [[1vyz|1vyz]], [[2vti|2vti]], [[1jvp|1jvp]], [[1w98|1w98]], [[1pkd|1pkd]], [[1p5e|1p5e]], [[2vts|2vts]], [[2c5p|2c5p]], [[2uzn|2uzn]], [[2b54|2b54]], [[1pxj|1pxj]], [[1ke6|1ke6]], [[2uzl|2uzl]], [[2cci|2cci]], [[2g9x|2g9x]], [[2bkz|2bkz]], [[1y91|1y91]], [[2iw6|2iw6]], [[1gij|1gij]], [[1r78|1r78]], [[1h0v|1h0v]], [[2iw9|2iw9]], [[1w8c|1w8c]], [[1buh|1buh]], [[2bpm|2bpm]], [[2bts|2bts]], [[1fvv|1fvv]], [[1okw|1okw]], [[2vtp|2vtp]], [[2a4l|2a4l]], [[2c6t|2c6t]], [[1fvt|1fvt]], [[1qmz|1qmz]], [[2vu3|2vu3]], [[1ogu|1ogu]], [[2b55|2b55]], [[1pf8|1pf8]], [[1h1s|1h1s]], [[2c5v|2c5v]], [[2jgz|2jgz]], [[2bhe|2bhe]], [[1urw|1urw]], [[1oiy|1oiy]], [[2c6l|2c6l]], [[1f5q|1f5q]], [[2c6o|2c6o]], [[2vtl|2vtl]], [[1ol1|1ol1]], [[1h01|1h01]], [[2uzb|2uzb]], [[1oir|1oir]], [[1oi9|1oi9]], [[2vtj|2vtj]], [[2cjm|2cjm]], [[2c5n|2c5n]], [[2c5x|2c5x]], [[2c6m|2c6m]], [[1oit|1oit]], [[2v22|2v22]], [[1gy3|1gy3]], [[1gii|1gii]], [[1di8|1di8]], [[1e9h|1e9h]], [[2vto|2vto]], [[1dm2|1dm2]], [[2uzo|2uzo]], [[1h24|1h24]], [[1h00|1h00]], [[2exm|2exm]], [[2clx|2clx]], [[1pxp|1pxp]], [[2cch|2cch]], [[1b39|1b39]], [[2btr|2btr]], [[1aq1|1aq1]], [[1h0w|1h0w]], [[1ckp|1ckp]], [[1g5s|1g5s]], [[1h28|1h28]], [[1ke8|1ke8]], [[1pxl|1pxl]], [[2vtr|2vtr]], [[1h26|1h26]], [[1h07|1h07]], [[1e1x|1e1x]], [[1y8y|1y8y]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cyclin-dependent_kinase Cyclin-dependent kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.22 2.7.11.22] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vv9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vv9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vv9 RCSB], [http://www.ebi.ac.uk/pdbsum/2vv9 PDBsum]</span></td></tr>
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<table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vv/2vv9_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A piperazine series of cyclin-dependent kinase (CDK) inhibitors have been identified. The compounds exhibit excellent physiochemical properties and a novel binding mode, whereby a bridging interaction via a water molecule with Asp 86 of CDK2, leads to selectivity for the CDK family of enzymes over other kinases. Piperazines 2e and 2i were subsequently shown to inhibit tumour growth when dosed orally in a nude mouse xenograft study. Additional chemical series that exploit this unexpected interaction with Asp 86 are also described.
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{{STRUCTURE_2vv9| PDB=2vv9 | SCENE= }}
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Imidazole piperazines: SAR and development of a potent class of cyclin-dependent kinase inhibitors with a novel binding mode.,Finlay MR, Acton DG, Andrews DM, Barker AJ, Dennis M, Fisher E, Graham MA, Green CP, Heaton DW, Karoutchi G, Loddick SA, Morgentin R, Roberts A, Tucker JA, Weir HM Bioorg Med Chem Lett. 2008 Aug 1;18(15):4442-6. Epub 2008 Jun 12. PMID:18617397<ref>PMID:18617397</ref>
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===CDK2 IN COMPLEX WITH AN IMIDAZOLE PIPERAZINE===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_18617397}}
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==About this Structure==
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[[2vv9]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VV9 OCA].
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==See Also==
==See Also==
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*[[Cell Division Protein Kinase 2|Cell Division Protein Kinase 2]]
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*[[Cell division protein kinase 2|Cell division protein kinase 2]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:018617397</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Cyclin-dependent kinase]]
[[Category: Cyclin-dependent kinase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]

Revision as of 08:00, 29 September 2014

CDK2 IN COMPLEX WITH AN IMIDAZOLE PIPERAZINE

2vv9, resolution 1.90Å

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OCA

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