4eft
From Proteopedia
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| - | [[ | + | ==Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile== |
| + | <StructureSection load='4eft' size='340' side='right' caption='[[4eft]], [[Resolution|resolution]] 2.12Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EFT FirstGlance]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3b28|3b28]], [[4eeh|4eeh]], [[4efu|4efu]]</td></tr> | ||
| + | <tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">HSP90A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [http://www.ebi.ac.uk/pdbsum/4eft PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Inhibitors of the Hsp90 molecular chaperone are showing considerable promise as potential molecular therapeutic agents for the treatment of cancer. Here we describe the identification of novel small molecular weight inhibitors of Hsp90 using a fragment based approach. Fragments were selected by docking, tested in a biochemical assay and the confirmed hits were crystallized. Information gained from X-ray structures of these fragments and other chemotypes was used to drive the fragment evolution process. Optimization of these high muM binders resulted in 3-benzylindazole derivatives with significantly improved affinity and anti-proliferative effects in different human cancer cell lines. | ||
| - | + | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90.,Buchstaller HP, Eggenweiler HM, Sirrenberg C, Gradler U, Musil D, Hoppe E, Zimmermann A, Schwartz H, Marz J, Bomke J, Wegener A, Wolf M Bioorg Med Chem Lett. 2012 Jul 1;22(13):4396-403. Epub 2012 May 5. PMID:22632933<ref>PMID:22632933</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| - | + | ==See Also== | |
| - | + | *[[Heat Shock Proteins|Heat Shock Proteins]] | |
| - | == | + | == References == |
| - | [[ | + | <references/> |
| - | + | __TOC__ | |
| - | == | + | </StructureSection> |
| - | < | + | |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Buchstaller, H P.]] | [[Category: Buchstaller, H P.]] | ||
Revision as of 07:59, 5 June 2014
Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile
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