3HQ5
Progesterone Receptor bound to an Alkylpyrrolidine ligand.
Summary for 3HQ5
| Entry DOI | 10.2210/pdb3hq5/pdb |
| Descriptor | Progesterone receptor, SULFATE ION, 2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile, ... (5 entities in total) |
| Functional Keywords | nuclear receptor, progesterone receptor, pr, alternative splicing, cytoplasm, dna-binding, isopeptide bond, lipid-binding, metal-binding, nucleus, phosphoprotein, polymorphism, receptor, steroid-binding, transcription, transcription regulation, ubl conjugation, zinc, zinc-finger, hormone binding protein |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 2 |
| Total formula weight | 60465.37 |
| Authors | Madauss, K.P.,Williams, S.P.,Washburn, D.G. (deposition date: 2009-06-05, release date: 2010-03-02, Last modification date: 2024-02-21) |
| Primary citation | Thompson, S.K.,Washburn, D.G.,Frazee, J.S.,Madauss, K.P.,Hoang, T.H.,Lapinski, L.,Grygielko, E.T.,Glace, L.E.,Trizna, W.,Williams, S.P.,Duraiswami, C.,Bray, J.D.,Laping, N.J. Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 19:4777-4780, 2009 Cited by PubMed Abstract: Using the X-ray crystal structure of an amide-based progesterone receptor (PR) partial agonist bound to the PR ligand binding domain, a novel PR partial agonist class containing a pyrrolidine ring was designed. Members of this class of N-alkylpyrrolidines demonstrate potent and highly selective partial agonism of the progesterone receptor, and one of these analogs was shown to be efficacious upon oral dosing in the OVX rat model of estrogen opposition. PubMed: 19595590DOI: 10.1016/j.bmcl.2009.06.055 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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