2bsm: Difference between revisions
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bsm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bsm OCA], [http://www.ebi.ac.uk/pdbsum/2bsm PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bsm RCSB]</span> | |||
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[[Category: Workman, P.]] | [[Category: Workman, P.]] | ||
[[Category: Wright, L.]] | [[Category: Wright, L.]] | ||
[[Category: atp-binding]] | [[Category: atp-binding]] | ||
[[Category: atpase]] | [[Category: atpase]] | ||
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[[Category: pu3]] | [[Category: pu3]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:11:11 2008'' | ||
Revision as of 23:11, 30 March 2008
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| 2bsm, resolution 2.05Å | |||||||||||||
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| Sites: | AC1 | ||||||||||||
| Ligands: | BSM | ||||||||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
NOVEL, POTENT SMALL MOLECULE INHIBITORS OF THE MOLECULAR CHAPERONE HSP90 DISCOVERED THROUGH STRUCTURE-BASED DESIGN
Overview
The crystal structure of a previously reported screening hit 1 (CCT018159) bound to the N terminal domain of molecular chaperone Hsp90 has been used to design 5-amide analogues. These exhibit enhanced potency against the target in binding and functional assays with accompanying appropriate cellular pharmacodynamic changes. Compound 11 (VER-49009) compares favorably with the clinically evaluated 17-AAG.
About this Structure
2BSM is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design., Dymock BW, Barril X, Brough PA, Cansfield JE, Massey A, McDonald E, Hubbard RE, Surgenor A, Roughley SD, Webb P, Workman P, Wright L, Drysdale MJ, J Med Chem. 2005 Jun 30;48(13):4212-5. PMID:15974572
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