2nv7: Difference between revisions

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|PDB= 2nv7 |SIZE=350|CAPTION= <scene name='initialview01'>2nv7</scene>, resolution 2.10&Aring;
|PDB= 2nv7 |SIZE=350|CAPTION= <scene name='initialview01'>2nv7</scene>, resolution 2.10&Aring;
|SITE=  
|SITE=  
|LIGAND= <scene name='pdbligand=555:4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME'>555</scene>
|LIGAND= <scene name='pdbligand=555:4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE+OXIME'>555</scene>
|ACTIVITY= [http://en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48]  
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48] </span>
|GENE= ESR2, ESTRB, NR3A2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
|GENE= ESR2, ESTRB, NR3A2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
|DOMAIN=
|RELATEDENTRY=
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2nv7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2nv7 OCA], [http://www.ebi.ac.uk/pdbsum/2nv7 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2nv7 RCSB]</span>
}}
}}


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[[Category: RSGI, RIKEN Structural Genomics/Proteomics Initiative.]]
[[Category: RSGI, RIKEN Structural Genomics/Proteomics Initiative.]]
[[Category: Xu, Z B.]]
[[Category: Xu, Z B.]]
[[Category: 555]]
[[Category: agonist]]
[[Category: agonist]]
[[Category: er]]
[[Category: er]]
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[[Category: transcription factor]]
[[Category: transcription factor]]


''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:51:38 2008''
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:08:51 2008''

Revision as of 01:08, 31 March 2008

File:2nv7.jpg


Drag the structure with the mouse to rotate
2nv7, resolution 2.10Å
Ligands: 555
Gene: ESR2, ESTRB, NR3A2 (Homo sapiens)
Activity: Histone acetyltransferase, with EC number 2.3.1.48
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555


Overview

A series of 4'-hydroxyphenyl-aryl-carbaldehyde oximes (5b) was prepared and found to have high affinity (4nM) and modest selectivity (39-fold) for estrogen receptor-beta (ERbeta). Substitution of one of the core rings of the scaffold based around these novel ligands further expanded our knowledge in the quest toward achieving high affinity and selectivity for ERbeta. An X-ray co-crystal of structure 11 revealed that the oxime moiety was mimicking the C-ring of genistein, as previously predicted by SAR and docking studies.

About this Structure

2NV7 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives., Mewshaw RE, Bowen SM, Harris HA, Xu ZB, Manas ES, Cohn ST, Bioorg Med Chem Lett. 2007 Feb 15;17(4):902-6. Epub 2006 Dec 1. PMID:17188490

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