2ccs
From Proteopedia
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|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ccs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ccs OCA], [http://www.ebi.ac.uk/pdbsum/2ccs PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2ccs RCSB]</span> | ||
}} | }} | ||
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[[Category: Workman, P.]] | [[Category: Workman, P.]] | ||
[[Category: Wright, L.]] | [[Category: Wright, L.]] | ||
| - | [[Category: 4BH]] | ||
[[Category: atp-binding]] | [[Category: atp-binding]] | ||
[[Category: atpase]] | [[Category: atpase]] | ||
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[[Category: pyrazole]] | [[Category: pyrazole]] | ||
| - | ''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 02:19:41 2008'' |
Revision as of 23:19, 30 March 2008
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| , resolution 1.79Å | |||||||
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)-BENZENE-1,2-DIOL
Overview
Novel piperazinyl, morpholino and piperidyl derivatives of the pyrazole-based Hsp90 inhibitor CCT018159 are described. Structure-activity relationships have been elucidated by X-ray co-crystal analysis of the new compounds bound to the N-terminal domain of human Hsp90. Key features of the binding mode are essentially identical to the recently reported potent analogue VER-49009. The most potent of the new compounds has a methylsulfonylbenzyl substituent appended to the piperazine nitrogen, possesses an IC50 of less than 600 nM binding against the enzyme and demonstrates low micromolar inhibition of tumour cell proliferation.
About this Structure
2CCS is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
4-Amino derivatives of the Hsp90 inhibitor CCT018159., Barril X, Beswick MC, Collier A, Drysdale MJ, Dymock BW, Fink A, Grant K, Howes R, Jordan AM, Massey A, Surgenor A, Wayne J, Workman P, Wright L, Bioorg Med Chem Lett. 2006 May 1;16(9):2543-8. Epub 2006 Feb 9. PMID:16480864
Page seeded by OCA on Mon Mar 31 02:19:41 2008
Categories: Homo sapiens | Single protein | Barril, X. | Beswick, M C. | Collier, A. | Drysdale, M J. | Dymock, B W. | Fink, A. | Grant, K. | Howes, R. | Jordan, A M. | Massey, A. | Surgenor, A. | Wayne, J. | Workman, P. | Wright, L. | Atp-binding | Atpase | Chaperone | Heat shock | Hsp90 | Nucleotide-binding | Phosphorylation | Pyrazole
