1sj0
From Proteopedia
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Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D
Contents |
Overview
The discovery and synthesis of dihydrobenzoxathiins as potent, ERalpha subtype selective ligands are described. The most active analogue, 4-D, was found to be 50-fold selective in a competitive binding assay and 100-fold selective in a transactivation assay in HEK-293 cells. The alpha selectivity was postulated to lie in the interaction of the sulfur atom of the benzoxathiin ring with the two discriminating residues in the binding pocket of the receptor isoforms.
Disease
Known diseases associated with this structure: Atherosclerosis, susceptibility to OMIM:[133430], Breast cancer OMIM:[133430], Estrogen resistance OMIM:[133430], HDL response to hormone replacement, augmented OMIM:[133430], Migraine, susceptibility to OMIM:[133430], Myocardial infarction, susceptibility to OMIM:[133430]
About this Structure
1SJ0 is a Single protein structure of sequence from Homo sapiens with as ligand. Full crystallographic information is available from OCA.
Reference
Estrogen receptor ligands. II. Discovery of benzoxathiins as potent, selective estrogen receptor alpha modulators., Kim S, Wu JY, Birzin ET, Frisch K, Chan W, Pai LY, Yang YT, Mosley RT, Fitzgerald PM, Sharma N, Dahllund J, Thorsell AG, DiNinno F, Rohrer SP, Schaeffer JM, Hammond ML, J Med Chem. 2004 Apr 22;47(9):2171-5. PMID:15084115
Page seeded by OCA on Thu Feb 21 15:02:02 2008
Categories: Homo sapiens | Single protein | Birzin, E T. | Chan, W. | DiNinno, F. | Fitzgerald, P M. | Hammond, M L. | Kim, S. | Mosley, R T. | Pai, L Y. | Rohrer, S P. | Schaeffer, J M. | Sharma, N. | Wu, J Y. | Yang, Y T. | E4D | Antagonist | Er-alpha | Nuclear receptor | Transcription factor
