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1yc3

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[[Image:1yc3.gif|left|200px]]
[[Image:1yc3.gif|left|200px]]
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{{Structure
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The line below this paragraph, containing "STRUCTURE_1yc3", creates the "Structure Box" on the page.
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|LIGAND= <scene name='pdbligand=4BC:4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC+ACID'>4BC</scene>
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|GENE= HSPCA, HSP90A, HSPC1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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|DOMAIN=
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{{STRUCTURE_1yc3| PDB=1yc3 | SCENE= }}
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|RELATEDENTRY=[[1yc1|1YC1]], [[1yc4|1YC4]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1yc3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yc3 OCA], [http://www.ebi.ac.uk/pdbsum/1yc3 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1yc3 RCSB]</span>
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'''Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles'''
'''Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles'''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 16:08:12 2008''
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Revision as of 13:08, 3 May 2008

Image:1yc3.gif

Template:STRUCTURE 1yc3

Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles


Overview

A series of dihydroxyphenylpyrazole compounds were identified as a unique class of reversible Hsp90 inhibitors. The crystal structures for two of the identified compounds complexed with the N-terminal ATP binding domain of human Hsp90alpha were determined. The dihydroxyphenyl ring of the compounds fits deeply into the adenine binding pocket with the C2 hydroxyl group forming a direct hydrogen bond with the side chain of Asp93. The pyrazole ring forms hydrogen bonds to the backbone carbonyl of Gly97, the hydroxyl group of Thr184 and to a water molecule, which is present in all of the published HSP90 structures. One of the identified compounds (G3130) demonstrated cellular activities (in Her-2 degradation and activation of Hsp70 promoter) consistent with the inhibition of cellular Hsp90 functions.

About this Structure

1YC3 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles., Kreusch A, Han S, Brinker A, Zhou V, Choi HS, He Y, Lesley SA, Caldwell J, Gu XJ, Bioorg Med Chem Lett. 2005 Mar 1;15(5):1475-8. PMID:15713410 Page seeded by OCA on Sat May 3 16:08:12 2008

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