2qtu: Difference between revisions
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[[Image:2qtu.gif|left|200px]] | [[Image:2qtu.gif|left|200px]] | ||
'''Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand''' | {{Structure | ||
|PDB= 2qtu |SIZE=350|CAPTION= <scene name='initialview01'>2qtu</scene>, resolution 2.53Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=3AS:(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol'>3AS</scene> | |||
|ACTIVITY= | |||
|GENE= ESR2, ESTRB, NR3A2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |||
}} | |||
'''Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2QTU is a [ | 2QTU is a [[Single protein]] structure of sequence 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=2QTU OCA]. | ||
==Reference== | ==Reference== | ||
Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies., Richardson TI, Dodge JA, Wang Y, Durbin JD, Krishnan V, Norman BH, Bioorg Med Chem Lett. 2007 Oct 15;17(20):5563-6. Epub 2007 Aug 11. PMID:[http:// | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies., Richardson TI, Dodge JA, Wang Y, Durbin JD, Krishnan V, Norman BH, Bioorg Med Chem Lett. 2007 Oct 15;17(20):5563-6. Epub 2007 Aug 11. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17804226 17804226] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: alternative splicing]] | [[Category: alternative splicing]] | ||
[[Category: dna-binding]] | [[Category: dna-binding]] | ||
[[Category: ligand-binding domain ]] | [[Category: ligand-binding domain]] | ||
[[Category: lipid-binding]] | [[Category: lipid-binding]] | ||
[[Category: metal-binding]] | [[Category: metal-binding]] | ||
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[[Category: zinc-finger]] | [[Category: zinc-finger]] | ||
''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 18:29:31 2008'' | ||
Revision as of 16:29, 20 March 2008
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| 2qtu, resolution 2.53Å | |||||||||||||
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| Ligands: | 3AS | ||||||||||||
| Gene: | ESR2, ESTRB, NR3A2 (Homo sapiens) | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand
Overview
Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER subtypes alpha and beta in opposite orientations. Here we describe the synthesis of a late stage intermediate that allowed us to combine A-ring and C-ring modifications and carry out simultaneous SAR studies at both positions. Modification of both positions proved additive, maintaining affinity and improving ERbeta selectivity up to 83-fold. An X-ray cocrystal structure confirms the previously observed binding mode in ERbeta.
About this Structure
2QTU is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies., Richardson TI, Dodge JA, Wang Y, Durbin JD, Krishnan V, Norman BH, Bioorg Med Chem Lett. 2007 Oct 15;17(20):5563-6. Epub 2007 Aug 11. PMID:17804226
Page seeded by OCA on Thu Mar 20 18:29:31 2008
Proteopedia Page Contributors and Editors (what is this?)
- Pages with broken file links
- Homo sapiens
- Single protein
- Dodge, J A.
- Durbin, J D.
- Krishnan, V.
- Norman, B H.
- Richardson, T I.
- Wang, Y.
- 3AS
- Alternative splicing
- Dna-binding
- Ligand-binding domain
- Lipid-binding
- Metal-binding
- Nuclear receptor
- Nucleus
- Phosphorylation
- Steroid-binding
- Transcription
- Transcription regulation
- Transcription regulator
- Zinc
- Zinc-finger
