6CHW

Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942.

Summary for 6CHW

• Entry DOI: 10.2210/pdb6chw/pdb
• Descriptor: Estrogen receptor, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: nuclear hormone receptor, covalent antagonist, activating mutation, breast cancer, nuclear protein, nuclear protein-antagonist complex, nuclear protein/antagonist
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 28796.94

Authors

Larsen, N.A. (deposition date: 2018-02-23, release date: 2018-03-21, Last modification date: 2020-02-26)

• Primary citation: Puyang, X.,Furman, C.,Zheng, G.Z.,Wu, Z.J.,Banka, D.,Aithal, K.,Agoulnik, S.,Bolduc, D.M.,Buonamici, S.,Caleb, B.,Das, S.,Eckley, S.,Fekkes, P.,Hao, M.H.,Hart, A.,Houtman, R.,Irwin, S.,Joshi, J.J.,Karr, C.,Kim, A.,Kumar, N.,Kumar, P.,Kuznetsov, G.,Lai, W.G.,Larsen, N.,Mackenzie, C.,Martin, L.A.,Melchers, D.,Moriarty, A.,Nguyen, T.V.,Norris, J.,O'Shea, M.,Pancholi, S.,Prajapati, S.,Rajagopalan, S.,Reynolds, D.J.,Rimkunas, V.,Rioux, N.,Ribas, R.,Siu, A.,Sivakumar, S.,Subramanian, V.,Thomas, M.,Vaillancourt, F.H.,Wang, J.,Wardell, S.,Wick, M.J.,Yao, S.,Yu, L.,Warmuth, M.,Smith, P.G.,Zhu, P.,Korpal, M.; Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.; Cancer Discov, 8:1176-1193, 2018; PubMed: 29991605; DOI: 10.1158/2159-8290.CD-17-1229

Experimental method

X-RAY DIFFRACTION (1.89 Å)