4afe
From Proteopedia
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| - | [[ | + | ==Nek2 bound to hybrid compound 21== |
| + | <StructureSection load='4afe' size='340' side='right' caption='[[4afe]], [[Resolution|resolution]] 2.60Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4afe]] 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=4AFE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AFE FirstGlance]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GGY:4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE'>GGY</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2xkc|2xkc]], [[2w5b|2w5b]], [[2xnp|2xnp]], [[2wqo|2wqo]], [[4a4x|4a4x]], [[2jav|2jav]], [[2xke|2xke]], [[2xkd|2xkd]], [[2xk7|2xk7]], [[2w5h|2w5h]], [[2xkf|2xkf]], [[2xk8|2xk8]], [[2xno|2xno]], [[2xk6|2xk6]], [[2xnn|2xnn]], [[2xk4|2xk4]], [[2xk3|2xk3]], [[2xnm|2xnm]], [[2w5a|2w5a]]</td></tr> | ||
| + | <tr><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4afe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4afe OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4afe RCSB], [http://www.ebi.ac.uk/pdbsum/4afe PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We report herein a series of Nek2 inhibitors based on an aminopyridine scaffold. These compounds have been designed by combining key elements of two previously discovered chemical series. Structure based design led to aminopyridine (R)-21, a potent and selective inhibitor able to modulate Nek2 activity in cells. | ||
| - | + | Design of potent and selective hybrid inhibitors of the mitotic kinase nek2: structure-activity relationship, structural biology, and cellular activity.,Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S J Med Chem. 2012 Apr 12;55(7):3228-41. Epub 2012 Mar 23. PMID:22404346<ref>PMID:22404346</ref> | |
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| - | + | 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> | |
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Non-specific serine/threonine protein kinase]] | [[Category: Non-specific serine/threonine protein kinase]] | ||
Revision as of 08:35, 5 June 2014
Nek2 bound to hybrid compound 21
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