2bz5: Difference between revisions
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[[Image:2bz5.gif|left|200px]] | [[Image:2bz5.gif|left|200px]] | ||
'''STRUCTURE-BASED DISCOVERY OF A NEW CLASS OF HSP90 INHIBITORS''' | {{Structure | ||
|PDB= 2bz5 |SIZE=350|CAPTION= <scene name='initialview01'>2bz5</scene>, resolution 1.90Å | |||
|SITE= <scene name='pdbsite=AC1:Ab4+Binding+Site+For+Chain+B'>AC1</scene> | |||
|LIGAND= <scene name='pdbligand=AB4:2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE'>AB4</scene> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''STRUCTURE-BASED DISCOVERY OF A NEW CLASS OF HSP90 INHIBITORS''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2BZ5 is a [ | 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== | ||
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:// | 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]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''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
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| 2bz5, resolution 1.90Å | |||||||||||||
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| Sites: | AC1 | ||||||||||||
| Ligands: | AB4 | ||||||||||||
| 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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