4aua
From Proteopedia
(Difference between revisions)
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| - | [[ | + | ==Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)== |
| + | <StructureSection load='4aua' size='340' side='right' caption='[[4aua]], [[Resolution|resolution]] 2.31Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4aua]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AUA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AUA FirstGlance]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4AU:1H-BENZIMIDAZOL-2-YL(1H-PYRROL-2-YL)METHANONE'>4AU</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1bi7|1bi7]], [[1bi8|1bi8]], [[1blx|1blx]], [[1g3n|1g3n]], [[1jow|1jow]], [[1xo2|1xo2]], [[2euf|2euf]], [[2f2c|2f2c]]</td></tr> | ||
| + | <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> | ||
| + | <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=4aua FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aua OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4aua RCSB], [http://www.ebi.ac.uk/pdbsum/4aua PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Herein, we describe the discovery of potent and highly selective inhibitors of both CDK4 and CDK6 via structure-guided optimization of a fragment-based screening hit. CDK6 X-ray crystallography and pharmacokinetic data steered efforts in identifying compound 6, which showed >1000-fold selectivity for CDK4 over CDKs 1 and 2 in an enzymatic assay. Furthermore, 6 demonstrated in vivo inhibition of pRb-phosphorylation and oral efficacy in a Jeko-1 mouse xenograft model. | ||
| - | + | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.,Cho YS, Angove H, Brain C, Chen CH, Cheng H, Cheng R, Chopra R, Chung K, Congreve M, Dagostin C, Davis DJ, Feltell R, Giraldes J, Hiscock SD, Kim S, Kovats S, Lagu B, Lewry K, Loo A, Lu Y, Luzzio M, Maniara W, McMenamin R, Mortenson PN, Benning R, O'Reilly M, Rees DC, Shen J, Smith T, Wang Y, Williams G, Woolford AJ, Wrona W, Xu M, Yang F, Howard S ACS Med Chem Lett. 2012 May 17;3(6):445-9. doi: 10.1021/ml200241a. eCollection, 2012 Jun 14. PMID:24900493<ref>PMID:24900493</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| - | == | + | <references/> |
| - | + | __TOC__ | |
| + | </StructureSection> | ||
[[Category: Cyclin-dependent kinase]] | [[Category: Cyclin-dependent kinase]] | ||
| - | [[Category: | + | [[Category: Human]] |
[[Category: Angove, H.]] | [[Category: Angove, H.]] | ||
[[Category: Benning, R.]] | [[Category: Benning, R.]] | ||
Revision as of 05:37, 18 June 2014
Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)
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Categories: Cyclin-dependent kinase | Human | Angove, H. | Benning, R. | Brain, C. | Chen, C H.T. | Cheng, R. | Cho, Y S. | Chopra, R. | Chung, K. | Congreve, M. | Dagostin, C. | Davis, D. | Feltell, R. | Giraldes, J. | Hiscock, S. | Howard, S. | Kim, S. | Kovats, S. | Lagu, B. | Lewry, K. | Loo, A. | Lu, Y. | Luzzio, M. | Maniara, W. | Mcmenamin, R. | Mortenson, P. | Oreilly, M. | Rees, D. | Shen, J. | Smith, T. | Wang, Y. | Williams, G. | Woolford, A. | Wrona, W. | Xu, M. | Yang, F. | Transferase
