2jj3
From Proteopedia
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==Overview== | ==Overview== | ||
| - | Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER receptor subtypes alpha and beta in opposite | + | Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER receptor subtypes alpha and beta in opposite orientations. We have used structure based drug design to show that this unique phenomena can be exploited via substitution at the 8-position of the benzopyran A-ring to disrupt binding to ERalpha, thus improving ERbeta subtype selectivity. X-ray cocrystal structures with ERalpha and ERbeta are supportive of this approach to improve selectivity in this structural class. |
==About this Structure== | ==About this Structure== | ||
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==Reference== | ==Reference== | ||
| - | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: | + | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: functionalization of the benzopyran A-ring., Norman BH, Richardson TI, Dodge JA, Pfeifer LA, Durst GL, Wang Y, Durbin JD, Krishnan V, Dinn SR, Liu S, Reilly JE, Ryter KT, Bioorg Med Chem Lett. 2007 Sep 15;17(18):5082-5. Epub 2007 Jul 13. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17662603 17662603] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Dinn, S | + | [[Category: Dinn, S R.]] |
| - | [[Category: Dodge, J | + | [[Category: Dodge, J A.]] |
| - | [[Category: Durbin, J | + | [[Category: Durbin, J D.]] |
| - | [[Category: Durst, G | + | [[Category: Durst, G L.]] |
[[Category: Krishnan, V.]] | [[Category: Krishnan, V.]] | ||
[[Category: Liu, S.]] | [[Category: Liu, S.]] | ||
| - | [[Category: Norman, B | + | [[Category: Norman, B H.]] |
| - | [[Category: Pfeifer, L | + | [[Category: Pfeifer, L A.]] |
| - | [[Category: Reilly, J | + | [[Category: Reilly, J E.]] |
| - | [[Category: Richardson, T | + | [[Category: Richardson, T I.]] |
| - | [[Category: Ryter, K | + | [[Category: Ryter, K T.]] |
[[Category: Wang, Y.]] | [[Category: Wang, Y.]] | ||
[[Category: JJ3]] | [[Category: JJ3]] | ||
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[[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 Thu Feb 21 18:03:49 2008'' |
Revision as of 16:03, 21 February 2008
|
ESTROGEN RECEPTOR BETA LIGAND BINDING DOMAIN IN COMPLEX WITH A BENZOPYRAN AGONIST
Overview
Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER receptor subtypes alpha and beta in opposite orientations. We have used structure based drug design to show that this unique phenomena can be exploited via substitution at the 8-position of the benzopyran A-ring to disrupt binding to ERalpha, thus improving ERbeta subtype selectivity. X-ray cocrystal structures with ERalpha and ERbeta are supportive of this approach to improve selectivity in this structural class.
About this Structure
2JJ3 is a Single protein structure of sequence from Homo sapiens with as ligand. Known structural/functional Site: . Full crystallographic information is available from OCA.
Reference
Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: functionalization of the benzopyran A-ring., Norman BH, Richardson TI, Dodge JA, Pfeifer LA, Durst GL, Wang Y, Durbin JD, Krishnan V, Dinn SR, Liu S, Reilly JE, Ryter KT, Bioorg Med Chem Lett. 2007 Sep 15;17(18):5082-5. Epub 2007 Jul 13. PMID:17662603
Page seeded by OCA on Thu Feb 21 18:03:49 2008
Categories: Homo sapiens | Single protein | Dinn, S R. | Dodge, J A. | Durbin, J D. | Durst, G L. | Krishnan, V. | Liu, S. | Norman, B H. | Pfeifer, L A. | Reilly, J E. | Richardson, T I. | Ryter, K T. | Wang, Y. | JJ3 | Alternative splicing | Dna-binding | Ligand binding domain | Lipid-binding | Metal-binding | Nuclear receptor | Nucleus | Phosphorylation | Receptor | Steroid-binding | Transcription | Transcription regulation | Zinc | Zinc-finger
