6PFM

Crystal structure of GDC-0927 bound to estrogen receptor alpha

Summary for 6PFM

• Entry DOI: 10.2210/pdb6pfm/pdb
• Related: 6PET
• Descriptor: Estrogen receptor, (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol (3 entities in total)
• Functional Keywords: antagonist, breast cancer, ligand, nuclear protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 64883.64

Authors

Kiefer, J.R.,Vinogradova, M.,Liang, J.,Zhang, B.,Wang, X.,Zbieg, J.R.,Labadie, S.S.,Li, J.,Ray, N.C.,Ortwine, D. (deposition date: 2019-06-21, release date: 2019-07-17, Last modification date: 2024-03-13)

• Primary citation: Labadie, S.S.,Li, J.,Blake, R.A.,Chang, J.H.,Goodacre, S.,Hartman, S.J.,Liang, W.,Kiefer, J.R.,Kleinheinz, T.,Lai, T.,Liao, J.,Ortwine, D.F.,Mody, V.,Ray, N.C.,Roussel, F.,Vinogradova, M.,Yeap, S.K.,Zhang, B.,Zheng, X.,Zbieg, J.R.,Liang, J.,Wang, X.; Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.; Bioorg.Med.Chem.Lett., 29:2090-2093, 2019; PubMed: 31311734; DOI: 10.1016/j.bmcl.2019.07.013

Experimental method

X-RAY DIFFRACTION (2.84 Å)