2bz5
From Proteopedia
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|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bz5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bz5 OCA], [http://www.ebi.ac.uk/pdbsum/2bz5 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bz5 RCSB]</span> | ||
}} | }} | ||
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[[Category: Surgenor, A.]] | [[Category: Surgenor, A.]] | ||
[[Category: Wright, L.]] | [[Category: Wright, L.]] | ||
| - | [[Category: AB4]] | ||
[[Category: atp-binding]] | [[Category: atp-binding]] | ||
[[Category: chaperone]] | [[Category: chaperone]] | ||
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[[Category: phosphorylation]] | [[Category: phosphorylation]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:14:09 2008'' |
Revision as of 23:14, 30 March 2008
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| , resolution 1.90Å | |||||||
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
STRUCTURE-BASED DISCOVERY OF A NEW CLASS OF HSP90 INHIBITORS
Overview
Docking-based virtual screening identified 1-(2-phenol)-2-naphthol compounds as a new class of Hsp90 inhibitors of low to sub-micromolar potency. Here we report the binding affinities and cellular activities of several members of this class. A high resolution crystal structure of the most potent compound reveals its binding mode in the ATP binding site of Hsp90, providing a rationale for the observed activity of the series and suggesting strategies for developing compounds with improved properties.
About this Structure
2BZ5 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Structure-based discovery of a new class of Hsp90 inhibitors., Barril X, Brough P, Drysdale M, Hubbard RE, Massey A, Surgenor A, Wright L, Bioorg Med Chem Lett. 2005 Dec 1;15(23):5187-91. Epub 2005 Oct 3. PMID:16202589
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