5YSO

Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domain with DN200434

Summary for 5YSO

• Entry DOI: 10.2210/pdb5yso/pdb
• Descriptor: Estrogen-related receptor gamma, 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol (3 entities in total)
• Functional Keywords: sodium iodide symporter (nis), anaplastic thyroid cancer, estrogen-related receptor gamma, radioiodine therapy, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 3
• Total formula weight: 82395.35

Authors

Cho, S.J.,Chin, J.W.,Yoon, H.S.,Jeon, Y.H.,Bae, J.H.,Song, J.Y. (deposition date: 2017-11-14, release date: 2018-12-26, Last modification date: 2023-11-22)

Primary citation

Singh, T.D.,Song, J.,Kim, J.,Chin, J.,Ji, H.D.,Lee, J.E.,Lee, S.B.,Yoon, H.,Yu, J.H.,Kim, S.K.,Yoon, G.S.,Hwang, H.,Lee, H.W.,Oh, J.M.,Lee, S.W.,Lee, J.,Choi, H.S.,Na, S.Y.,Choi, W.I.,Park, Y.J.,Song, Y.S.,Kim, Y.A.,Lee, I.K.,Cho, S.J.,Jeon, Y.H.
A Novel Orally Active Inverse Agonist of Estrogen-related Receptor Gamma (ERR gamma ), DN200434, A Booster of NIS in Anaplastic Thyroid Cancer.
Clin.Cancer Res., 25:5069-5081, 2019

PubMed Abstract: New strategies to restore sodium iodide symporter (NIS) expression and function in radioiodine therapy-refractive anaplastic thyroid cancers (ATCs) are urgently required. Recently, we reported the regulatory role of estrogen-related receptor gamma (ERRγ) in ATC cell NIS function. Herein, we identified DN200434 as a highly potent (functional IC = 0.006 μmol/L), selective, and orally available ERRγ inverse agonist for NIS enhancement in ATC.

PubMed: 31010838
DOI: 10.1158/1078-0432.CCR-18-3007

Experimental method

X-RAY DIFFRACTION (2.501 Å)