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2qtu
From Proteopedia
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|PDB= 2qtu |SIZE=350|CAPTION= <scene name='initialview01'>2qtu</scene>, resolution 2.53Å | |PDB= 2qtu |SIZE=350|CAPTION= <scene name='initialview01'>2qtu</scene>, resolution 2.53Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=3AS:( | + | |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= | |ACTIVITY= | ||
|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=[[2i0g|2I0G]], [[2jj3|2JJ3]], [[2z4b|2Z4B]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qtu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qtu OCA], [http://www.ebi.ac.uk/pdbsum/2qtu PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qtu RCSB]</span> | ||
}} | }} | ||
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[[Category: Richardson, T I.]] | [[Category: Richardson, T I.]] | ||
[[Category: Wang, Y.]] | [[Category: Wang, Y.]] | ||
| - | [[Category: 3AS]] | ||
[[Category: alternative splicing]] | [[Category: alternative splicing]] | ||
[[Category: dna-binding]] | [[Category: dna-binding]] | ||
| Line 44: | Line 46: | ||
[[Category: zinc-finger]] | [[Category: zinc-finger]] | ||
| - | ''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 04:53:12 2008'' |
Revision as of 01:53, 31 March 2008
| |||||||
| , resolution 2.53Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | ESR2, ESTRB, NR3A2 (Homo sapiens) | ||||||
| Related: | 2I0G, 2JJ3, 2Z4B
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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 Mon Mar 31 04:53:12 2008
Categories: Homo sapiens | Single protein | Dodge, J A. | Durbin, J D. | Krishnan, V. | Norman, B H. | Richardson, T I. | Wang, Y. | 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
