5h22: Difference between revisions
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==Hsp90 alpha N-terminal domain in complex with an inhibitor== | |||
<StructureSection load='5h22' size='340' side='right'caption='[[5h22]], [[Resolution|resolution]] 1.50Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5h22]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5H22 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5H22 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7FT:4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine'>7FT</scene></td></tr> | |||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Hsp90aa1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10090 LK3 transgenic mice])</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=5h22 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5h22 OCA], [http://pdbe.org/5h22 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5h22 RCSB], [http://www.ebi.ac.uk/pdbsum/5h22 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5h22 ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
A novel series of heat shock protein 90 (Hsp90) inhibitors was identified by X-ray crystal analysis of complex structures at solvent-exposed exit pocket C. The 2-amino-pyrrolo[2,3-d]pyrimidine derivatives, 7-deazapurines substituted with a benzyl moiety at C5, showed potent Hsp90 inhibition and broad-spectrum antiproliferative activity against NCI-60 cancer cell lines. The most potent compound, 6a, inhibited Hsp90 with an IC50 of 36nM and showed a submicromolar mean GI50 value against NCI-60 cell lines. The interaction of 6a at the ATP-binding pocket of Hsp90 was confirmed by X-ray crystallography and Western blot analysis. | |||
Synthesis and in vitro antiproliferative activity of C5-benzyl substituted 2-amino-pyrrolo[2,3-d]pyrimidines as potent Hsp90 inhibitors.,Lee JH, Shin SC, Seo SH, Seo YH, Jeong N, Kim CW, Kim EE, Keum G Bioorg Med Chem Lett. 2017 Jan 15;27(2):237-241. doi: 10.1016/j.bmcl.2016.11.062., Epub 2016 Nov 23. PMID:27914802<ref>PMID:27914802</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Kim, E | <div class="pdbe-citations 5h22" style="background-color:#fffaf0;"></div> | ||
[[Category: Shin, S | |||
[[Category: | ==See Also== | ||
*[[Heat Shock Proteins|Heat Shock Proteins]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Lk3 transgenic mice]] | |||
[[Category: Keum, G C]] | |||
[[Category: Kim, E E]] | |||
[[Category: Shin, S C]] | |||
[[Category: Chaperone-inhibitor complex]] | |||
[[Category: Hsp90]] | |||
[[Category: Inhibitor]] | |||
Revision as of 07:36, 24 April 2019
Hsp90 alpha N-terminal domain in complex with an inhibitor
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