3HQ5

Progesterone Receptor bound to an Alkylpyrrolidine ligand.

3HQ5 の概要

• エントリーDOI: 10.2210/pdb3hq5/pdb
• 分子名称: Progesterone receptor, SULFATE ION, 2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile, ... (5 entities in total)
• 機能のキーワード: 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
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 60465.37

構造登録者

Madauss, K.P.,Williams, S.P.,Washburn, D.G. (登録日: 2009-06-05, 公開日: 2010-03-02, 最終更新日: 2024-02-21)

主引用文献

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

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: 19595590
DOI: 10.1016/j.bmcl.2009.06.055

実験手法

X-RAY DIFFRACTION (2.1 Å)