6WOK

Crystal structure of estrogen receptor alpha in complex with receptor degrader 6

Summary for 6WOK

• Entry DOI: 10.2210/pdb6wok/pdb
• Descriptor: Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, ... (4 entities in total)
• Functional Keywords: era, antagonist, inverse agonist, receptor, breast cancer, degrader, ligand, estrogen receptor, nuclear protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 130800.72

Authors

Kiefer, J.R.,Vinogradova, M.,Liang, J.,Zhang, B.,Wang, X.,Labadie, S. (deposition date: 2020-04-24, release date: 2020-07-01, Last modification date: 2023-11-01)

• Primary citation: Liang, J.,Blake, R.,Chang, J.,Friedman, L.S.,Goodacre, S.,Hartman, S.,Ingalla, E.R.,Kiefer, J.R.,Kleinheinz, T.,Labadie, S.,Li, J.,Lai, K.W.,Liao, J.,Mody, V.,McLean, N.,Metcalfe, C.,Nannini, M.,Otwine, D.,Ran, Y.,Ray, N.,Roussel, F.,Sambrone, A.,Sampath, D.,Vinogradova, M.,Wai, J.,Wang, T.,Yeap, K.,Young, A.,Zbieg, J.,Zhang, B.,Zheng, X.,Zhong, Y.,Wang, X.; Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer.; Acs Med.Chem.Lett., 11:1342-1347, 2020; PubMed: 32551022; DOI: 10.1021/acsmedchemlett.0c00224

Experimental method

X-RAY DIFFRACTION (2.309 Å)