2qtu
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(New page: 200px<br /> <applet load="2qtu" size="450" color="white" frame="true" align="right" spinBox="true" caption="2qtu, resolution 2.53Å" /> '''Estrogen receptor b...)
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Revision as of 21:28, 12 November 2007
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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 with 3AS as ligand. 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 Nov 12 23:35:07 2007
Categories: 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
