6DFN

Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa

Summary for 6DFN

• Entry DOI: 10.2210/pdb6dfn/pdb
• Descriptor: Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, NICKEL (II) ION, ... (6 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: 131060.32

Authors

Kiefer, J.R.,Vinogradova, M.,Liang, J.,Zhang, B.,Ortwine, D.F.,Nettles, K.W.,Nwachukwu, J.C. (deposition date: 2018-05-15, release date: 2019-02-20, Last modification date: 2024-04-03)

• Primary citation: Zhang, B.,Kiefer, J.R.,Blake, R.A.,Chang, J.H.,Hartman, S.,Ingalla, E.R.,Kleinheinz, T.,Mody, V.,Nannini, M.,Ortwine, D.F.,Ran, Y.,Sambrone, A.,Sampath, D.,Vinogradova, M.,Zhong, Y.,Nwachukwu, J.C.,Nettles, K.W.,Lai, T.,Liao, J.,Zheng, X.,Chen, H.,Wang, X.,Liang, J.; Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.; Bioorg. Med. Chem. Lett., 29:905-911, 2019; PubMed: 30732944; DOI: 10.1016/j.bmcl.2019.01.036

Experimental method

X-RAY DIFFRACTION (2.1 Å)