2bz5

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[[Image:2bz5.gif|left|200px]]<br /><applet load="2bz5" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2bz5.gif|left|200px]]
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caption="2bz5, resolution 1.90&Aring;" />
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'''STRUCTURE-BASED DISCOVERY OF A NEW CLASS OF HSP90 INHIBITORS'''<br />
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{{Structure
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|PDB= 2bz5 |SIZE=350|CAPTION= <scene name='initialview01'>2bz5</scene>, resolution 1.90&Aring;
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|SITE= <scene name='pdbsite=AC1:Ab4+Binding+Site+For+Chain+B'>AC1</scene>
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|LIGAND= <scene name='pdbligand=AB4:2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE'>AB4</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''STRUCTURE-BASED DISCOVERY OF A NEW CLASS OF HSP90 INHIBITORS'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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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].
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2BZ5 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BZ5 OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16202589 16202589]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/16202589 16202589]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: phosphorylation]]
[[Category: phosphorylation]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:43:12 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:08:41 2008''

Revision as of 14:08, 20 March 2008

Image:2bz5.gif


PDB ID 2bz5

Drag the structure with the mouse to rotate
, resolution 1.90Å
Sites:
Ligands:
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

Page seeded by OCA on Thu Mar 20 16:08:41 2008

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