2bz5
From Proteopedia
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==Overview== | ==Overview== | ||
| - | Docking-based virtual screening identified 1-(2-phenol)-2-naphthol | + | 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== | ==About this Structure== | ||
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[[Category: Brough, P.]] | [[Category: Brough, P.]] | ||
[[Category: Drysdale, M.]] | [[Category: Drysdale, M.]] | ||
| - | [[Category: Hubbard, R | + | [[Category: Hubbard, R E.]] |
[[Category: Massey, A.]] | [[Category: Massey, A.]] | ||
[[Category: Surgenor, A.]] | [[Category: Surgenor, A.]] | ||
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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 Thu Feb 21 16:43:12 2008'' |
Revision as of 14:43, 21 February 2008
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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 with as ligand. Known structural/functional Site: . 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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