2bz5

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Image:2bz5.gif

2bz5, resolution 1.90Å

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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 AB4 as [ligand]. 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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