6KNR

Crystal structure of Estrogen-related receptor gamma ligand-binding domain with DN200699

6KNR の概要

• エントリーDOI: 10.2210/pdb6knr/pdb
• 分子名称: Estrogen-related receptor gamma, (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol (3 entities in total)
• 機能のキーワード: estrogen-related receptor gamma, transcription
• 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: 55747.14

構造登録者

Yoon, H.,Kim, J.,Chin, J.,Song, J.,Cho, S.J. (登録日: 2019-08-07, 公開日: 2020-08-12, 最終更新日: 2023-11-22)

主引用文献

Kim, J.,Hwang, H.,Yoon, H.,Lee, J.E.,Oh, J.M.,An, H.,Ji, H.D.,Lee, S.,Cha, E.,Ma, M.J.,Kim, D.S.,Lee, S.J.,Kadayat, T.M.,Song, J.,Lee, S.W.,Jeon, J.H.,Park, K.G.,Lee, I.K.,Jeon, Y.H.,Chin, J.,Cho, S.J.
An orally available inverse agonist of estrogen-related receptor gamma showed expanded efficacy for the radioiodine therapy of poorly differentiated thyroid cancer.
Eur.J.Med.Chem., 205:112501-112501, 2020

PubMed Abstract: Estrogen-related receptor gamma (ERRγ) is the NR3B subgroup of associated transcription factors. In this report, a new generation of a potent and selective ERRγ inverse agonist (25) with good biocompatibility was proposed. We also explored the potential of the newly developed compound 25 in the PDTC model to expand the original indications from ATC. In addition, an X-ray crystallographic study of the ligand and ERRγ co-complex showed that 25 completely binds to the target protein (PDB 6KNR). Its medicinal chemistry, including a distinctive structural study to in vivo results, denotes that 25 may be directed towards the development of a pivotal treatment for ERRγ-related cancers.

PubMed: 32758860
DOI: 10.1016/j.ejmech.2020.112501

実験手法

X-RAY DIFFRACTION (2.804 Å)