2xnp
From Proteopedia
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| - | [[ | + | ==STRUCTURE OF NEK2 BOUND TO CCT244858== |
| + | <StructureSection load='2xnp' size='340' side='right' caption='[[2xnp]], [[Resolution|resolution]] 1.98Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[2xnp]] 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=2XNP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNP FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=WCX:4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE'>WCX</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2xkc|2xkc]], [[2w5b|2w5b]], [[2xk8|2xk8]], [[2wqo|2wqo]], [[2jav|2jav]], [[2xk6|2xk6]], [[2xk4|2xk4]], [[2xk3|2xk3]], [[2w5a|2w5a]], [[2xke|2xke]], [[2xk7|2xk7]], [[2w5h|2w5h]], [[2xkd|2xkd]], [[2xkf|2xkf]], [[2xnn|2xnn]], [[2xnm|2xnm]], [[2xno|2xno]]</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xnp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xnp OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xnp RCSB], [http://www.ebi.ac.uk/pdbsum/2xnp PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We describe herein the structure-activity relationship (SAR) and cocrystal structures of a series of Nek2 inhibitors derived from the published polo-like kinase 1 (Plk1) inhibitor (R)-1. Our studies reveal a nonlinear SAR for Nek2 and our cocrystal structures show that compounds in this series bind to a DFG-out conformation of Nek2 without extending into the enlarged back pocket commonly found in this conformation. These observations were further investigated, and structure-based design led to Nek2 inhibitors derived from (R)-1 with more than a hundred-fold selectivity against Plk1. | ||
| - | + | Benzimidazole Inhibitors Induce a DFG-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.,Solanki S, Innocenti P, Mas-Droux C, Boxall K, Barillari C, van Montfort RL, Aherne GW, Bayliss R, Hoelder S J Med Chem. 2011 Mar 24;54(6):1626-39. Epub 2011 Mar 2. PMID:21366329<ref>PMID:21366329</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| - | + | ==See Also== | |
| - | + | *[[Serine/threonine protein kinase|Serine/threonine protein kinase]] | |
| - | == | + | == References == |
| - | [[ | + | <references/> |
| - | + | __TOC__ | |
| - | == | + | </StructureSection> |
| - | < | + | |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Non-specific serine/threonine protein kinase]] | [[Category: Non-specific serine/threonine protein kinase]] | ||
| - | [[Category: Bayliss, R | + | [[Category: Bayliss, R]] |
| - | [[Category: Mas-Droux, C | + | [[Category: Mas-Droux, C]] |
[[Category: Cell cycle]] | [[Category: Cell cycle]] | ||
[[Category: Centrosome]] | [[Category: Centrosome]] | ||
[[Category: Mitosis]] | [[Category: Mitosis]] | ||
[[Category: Transferase]] | [[Category: Transferase]] | ||
Revision as of 08:08, 12 November 2014
STRUCTURE OF NEK2 BOUND TO CCT244858
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