2w17

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[[Image:2w17.png|left|200px]]
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==CDK2 IN COMPLEX WITH THE IMIDAZOLE PYRIMIDINE AMIDE, COMPOUND (S)-8B==
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<StructureSection load='2w17' size='340' side='right' caption='[[2w17]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2w17]] 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=2W17 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W17 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=I19:N-(4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]CARBONYL}PHENYL)-5-FLUORO-4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-AMINE'>I19</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]], [[1v1k|1v1k]], [[2b53|2b53]], [[1h25|1h25]], [[1okv|1okv]], [[1ke7|1ke7]], [[1pxk|1pxk]], [[2bhh|2bhh]], [[2uue|2uue]], [[2vta|2vta]], [[1gz8|1gz8]], [[1e1v|1e1v]], [[1ol2|1ol2]], [[1h27|1h27]], [[1jsv|1jsv]], [[2b52|2b52]], [[1ke5|1ke5]], [[1fin|1fin]], [[2c5o|2c5o]], [[2c68|2c68]], [[1p2a|1p2a]], [[2vtt|2vtt]], [[2c4g|2c4g]], [[2vtq|2vtq]], [[1w0x|1w0x]], [[1h1q|1h1q]], [[2w05|2w05]], [[1pxo|1pxo]], [[1ke9|1ke9]], [[2a0c|2a0c]], [[1hck|1hck]], [[1jsu|1jsu]], [[1pxn|1pxn]], [[2uze|2uze]], [[2vtm|2vtm]], [[2v0d|2v0d]], [[1oiq|1oiq]], [[1h1r|1h1r]], [[2iw8|2iw8]], [[1gih|1gih]], [[1pw2|1pw2]], [[1hcl|1hcl]], [[2vtn|2vtn]], [[2w06|2w06]], [[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]], [[2b55|2b55]], [[1ogu|1ogu]], [[1pf8|1pf8]], [[1h1s|1h1s]], [[2jgz|2jgz]], [[2c5v|2c5v]], [[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]], [[1gy3|1gy3]], [[2v22|2v22]], [[1gii|1gii]], [[1di8|1di8]], [[2vv9|2vv9]], [[1e9h|1e9h]], [[2vto|2vto]], [[1dm2|1dm2]], [[1h24|1h24]], [[2uzo|2uzo]], [[1h00|1h00]], [[2exm|2exm]], [[2clx|2clx]], [[1pxp|1pxp]], [[2cch|2cch]], [[2btr|2btr]], [[1b39|1b39]], [[1aq1|1aq1]], [[1h0w|1h0w]], [[1ckp|1ckp]], [[1g5s|1g5s]], [[1ke8|1ke8]], [[1pxl|1pxl]], [[1h28|1h28]], [[1h26|1h26]], [[2vtr|2vtr]], [[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=2w17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w17 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w17 RCSB], [http://www.ebi.ac.uk/pdbsum/2w17 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/w1/2w17_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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The development of a novel series of imidazole pyrimidine amides as cyclin-dependent kinase (CDK) inhibitors is described. Optimisation of inhibitory potency against multiple CDK's (1, 2 and 9) resulted in imidazole pyrimidine amides with potent in vitro anti-proliferative effects against a range of cancer cell lines. Excellent physiochemical properties and large margins against inhibition of CYP isoforms and the hERG ion channel were achieved by modification of lipophilicity and amine basicity. A candidate with disease model activity in human cancer cell line xenografts and with suitable physiochemical and pharmacokinetic profiles for intravenous (i.v.) dosing was selected for further development as AZD5597.
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{{STRUCTURE_2w17| PDB=2w17 | SCENE= }}
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The discovery of AZD5597, a potent imidazole pyrimidine amide CDK inhibitor suitable for intravenous dosing.,Jones CD, Andrews DM, Barker AJ, Blades K, Daunt P, East S, Geh C, Graham MA, Johnson KM, Loddick SA, McFarland HM, McGregor A, Moss L, Rudge DA, Simpson PB, Swain ML, Tam KY, Tucker JA, Walker M Bioorg Med Chem Lett. 2008 Dec 15;18(24):6369-73. Epub 2008 Oct 25. PMID:18996007<ref>PMID:18996007</ref>
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===CDK2 IN COMPLEX WITH THE IMIDAZOLE PYRIMIDINE AMIDE, COMPOUND (S)-8B===
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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_18996007}}
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==About this Structure==
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[[2w17]] 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=2W17 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:018996007</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 08:18, 29 September 2014

CDK2 IN COMPLEX WITH THE IMIDAZOLE PYRIMIDINE AMIDE, COMPOUND (S)-8B

2w17, resolution 2.15Å

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