2nv7
From Proteopedia
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| - | [[Image:2nv7.jpg|left|200px]] | + | [[Image:2nv7.jpg|left|200px]] |
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| - | '''Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555''' | + | {{Structure |
| + | |PDB= 2nv7 |SIZE=350|CAPTION= <scene name='initialview01'>2nv7</scene>, resolution 2.10Å | ||
| + | |SITE= | ||
| + | |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] | ||
| + | |GENE= ESR2, ESTRB, NR3A2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | }} | ||
| + | |||
| + | '''Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2NV7 is a [ | + | 2NV7 is a [[Protein complex]] structure of sequences 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=2NV7 OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/17188490 17188490] |
[[Category: Histone acetyltransferase]] | [[Category: Histone acetyltransferase]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
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[[Category: estrogen receptor]] | [[Category: estrogen receptor]] | ||
[[Category: estrogen receptor beta]] | [[Category: estrogen receptor beta]] | ||
| - | [[Category: national project on protein structural and functional | + | [[Category: national project on protein structural and functional analyse]] |
[[Category: nppsfa]] | [[Category: nppsfa]] | ||
[[Category: nuclear receptor]] | [[Category: nuclear receptor]] | ||
[[Category: riken structural genomics/proteomics initiative]] | [[Category: riken structural genomics/proteomics initiative]] | ||
[[Category: rsgi]] | [[Category: rsgi]] | ||
| - | [[Category: structural | + | [[Category: structural genomic]] |
[[Category: transcription factor]] | [[Category: transcription factor]] | ||
| - | ''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 17:51:38 2008'' |
Revision as of 15:51, 20 March 2008
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| , resolution 2.10Å | |||||||
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| Ligands: | |||||||
| Gene: | ESR2, ESTRB, NR3A2 (Homo sapiens) | ||||||
| Activity: | Histone acetyltransferase, with EC number 2.3.1.48 | ||||||
| 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
Page seeded by OCA on Thu Mar 20 17:51:38 2008
Categories: Histone acetyltransferase | Homo sapiens | Protein complex | Bowen, M S. | Cohn, S T. | Harris, H A. | Manas, E S. | Mewshaw, R E. | RSGI, RIKEN Structural Genomics/Proteomics Initiative. | Xu, Z B. | 555 | Agonist | Er | Er-beta | Estrogen | Estrogen receptor | Estrogen receptor beta | National project on protein structural and functional analyse | Nppsfa | Nuclear receptor | Riken structural genomics/proteomics initiative | Rsgi | Structural genomic | Transcription factor
