6EG2

Crystal structure of human BRM in complex with compound 16

Summary for 6EG2

Entry DOI	10.2210/pdb6eg2/pdb
Descriptor	Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2, N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea, ISOPROPYL ALCOHOL, ... (4 entities in total)
Functional Keywords	helicase, atpase, chromatin remodeling, inhibitor, mbp fusion, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Escherichia coli O157:H7 More
Total number of polymer chains	1
Total formula weight	70251.99
Authors	Zhu, X.,Kulathila, R.,Hu, T.,Xie, X. (deposition date: 2018-08-17, release date: 2018-10-31, Last modification date: 2023-10-11)
Primary citation	Papillon, J.P.N.,Nakajima, K.,Adair, C.D.,Hempel, J.,Jouk, A.O.,Karki, R.G.,Mathieu, S.,Mobitz, H.,Ntaganda, R.,Smith, T.,Visser, M.,Hill, S.E.,Hurtado, F.K.,Chenail, G.,Bhang, H.C.,Bric, A.,Xiang, K.,Bushold, G.,Gilbert, T.,Vattay, A.,Dooley, J.,Costa, E.A.,Park, I.,Li, A.,Farley, D.,Lounkine, E.,Yue, Q.K.,Xie, X.,Zhu, X.,Kulathila, R.,King, D.,Hu, T.,Vulic, K.,Cantwell, J.,Luu, C.,Jagani, Z. Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. J. Med. Chem., 61:10155-10172, 2018 Cited by PubMed: 30339381 DOI: 10.1021/acs.jmedchem.8b01318 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.98 Å)

Structure validation