2qtu | pdb_00002qtu
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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
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
