2byi
From Proteopedia
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|PDB= 2byi |SIZE=350|CAPTION= <scene name='initialview01'>2byi</scene>, resolution 1.60Å | |PDB= 2byi |SIZE=350|CAPTION= <scene name='initialview01'>2byi</scene>, resolution 1.60Å | ||
|SITE= <scene name='pdbsite=AC1:2dd+Binding+Site+For+Chain+A'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:2dd+Binding+Site+For+Chain+A'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand=2DD:3-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 4-SULFAMOYL-BENZYLAMIDE'>2DD</scene> | + | |LIGAND= <scene name='pdbligand=2DD:3-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC+ACID+4-SULFAMOYL-BENZYLAMIDE'>2DD</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2byi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2byi OCA], [http://www.ebi.ac.uk/pdbsum/2byi PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2byi RCSB]</span> | ||
}} | }} | ||
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[[Category: Workman, P.]] | [[Category: Workman, P.]] | ||
[[Category: Wright, L.]] | [[Category: Wright, L.]] | ||
| - | [[Category: 2DD]] | ||
[[Category: atp-binding]] | [[Category: atp-binding]] | ||
[[Category: chaperone]] | [[Category: chaperone]] | ||
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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 02:13:39 2008'' |
Revision as of 23:13, 30 March 2008
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| , resolution 1.60Å | |||||||
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| Sites: | |||||||
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE-4-CARBOXAMIDES AS INHIBITORS OF THE HSP90 MOLECULAR CHAPERONE
Overview
Information from X-ray crystal structures of Hsp90 inhibitors bound to the human Hsp90 molecular chaperone was used to assist in the design of 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as novel inhibitors of Hsp90. Accessing an extra interaction with the protein via Phe138 gave a significant increase in binding potency compared to similar analogues that do not make this interaction.
About this Structure
2BYI is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
3-(5-Chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as inhibitors of the Hsp90 molecular chaperone., Brough PA, Barril X, Beswick M, Dymock BW, Drysdale MJ, Wright L, Grant K, Massey A, Surgenor A, Workman P, Bioorg Med Chem Lett. 2005 Dec 1;15(23):5197-201. Epub 2005 Oct 5. PMID:16213716
Page seeded by OCA on Mon Mar 31 02:13:39 2008
Categories: Homo sapiens | Single protein | Barril, X. | Beswick, M. | Brough, P A. | Drysdale, M J. | Dymock, B W. | Grant, K. | Massey, A. | Surgenor, A. | Workman, P. | Wright, L. | Atp-binding | Chaperone | Heat shock | Hsp90 | Nucleotide-binding | Phosphorylation | Pyrazole
