2bz5
From Proteopedia
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| - | [[Image:2bz5.gif|left|200px]]<br /><applet load="2bz5" size=" | + | [[Image:2bz5.gif|left|200px]]<br /><applet load="2bz5" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="2bz5, resolution 1.90Å" /> | caption="2bz5, resolution 1.90Å" /> | ||
'''STRUCTURE-BASED DISCOVERY OF A NEW CLASS OF HSP90 INHIBITORS'''<br /> | '''STRUCTURE-BASED DISCOVERY OF A NEW CLASS OF HSP90 INHIBITORS'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2BZ5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with AB4 as [http://en.wikipedia.org/wiki/ligand ligand]. Known structural/functional Site: <scene name='pdbsite=AC1:Ab4 Binding Site For Chain B'>AC1</scene>. Full crystallographic information is available from [http:// | + | 2BZ5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=AB4:'>AB4</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Known structural/functional Site: <scene name='pdbsite=AC1:Ab4+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BZ5 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: phosphorylation]] | [[Category: phosphorylation]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 10:29:37 2008'' |
Revision as of 08:29, 3 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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