6KNR

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

Summary for 6KNR

• Entry DOI: 10.2210/pdb6knr/pdb
• Descriptor: 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)
• Functional Keywords: estrogen-related receptor gamma, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 55747.14

Authors

Yoon, H.,Kim, J.,Chin, J.,Song, J.,Cho, S.J. (deposition date: 2019-08-07, release date: 2020-08-12, Last modification date: 2023-11-22)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (2.804 Å)