5KD9

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative

Replaces:  5BQ4

Summary for 5KD9

• Entry DOI: 10.2210/pdb5kd9/pdb
• Related: 5KCC 5KCD 5KCF 5KCT 5KCU 5KCW
• Descriptor: Estrogen receptor, NCOA2, (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, ... (4 entities in total)
• Functional Keywords: nuclear receptor, transcription factor, ligand binding, protein-ligand complex, transcription
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 4
• Total formula weight: 63036.88

Authors

Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Dharmarajan, V.,Goswami, D.,Kastrati, I.,Novick, S.,Nowak, J.,Zhou, H.B.,Boonmuen, N.,Zhao, Y.,Min, J.,Frasor, J.,Katzenellenbogen, B.S.,Griffin, P.R.,Katzenellenbogen, J.A.,Nettles, K.W. (deposition date: 2016-06-07, release date: 2016-11-16, Last modification date: 2024-03-06)

• Primary citation: Srinivasan, S.,Nwachukwu, J.C.,Bruno, N.E.,Dharmarajan, V.,Goswami, D.,Kastrati, I.,Novick, S.,Nowak, J.,Cavett, V.,Zhou, H.B.,Boonmuen, N.,Zhao, Y.,Min, J.,Frasor, J.,Katzenellenbogen, B.S.,Griffin, P.R.,Katzenellenbogen, J.A.,Nettles, K.W.; Full antagonism of the estrogen receptor without a prototypical ligand side chain.; Nat. Chem. Biol., 13:111-118, 2017; PubMed: 27870835; DOI: 10.1038/nchembio.2236

Experimental method

X-RAY DIFFRACTION (1.78 Å)