7AFW

Beta-Catenin in complex with compound 6

Summary for 7AFW

Entry DOI	10.2210/pdb7afw/pdb
Descriptor	Catenin beta-1, 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile (3 entities in total)
Functional Keywords	fragment, oncoprotein
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	18454.48
Authors	Boettcher, J.,Kessler, D. (deposition date: 2020-09-21, release date: 2020-12-16, Last modification date: 2024-01-31)
Primary citation	Kessler, D.,Mayer, M.,Zahn, S.K.,Zeeb, M.,Wohrle, S.,Bergner, A.,Bruchhaus, J.,Ciftci, T.,Dahmann, G.,Dettling, M.,Dobel, S.,Fuchs, J.E.,Geist, L.,Hela, W.,Kofink, C.,Kousek, R.,Moser, F.,Puchner, T.,Rumpel, K.,Scharnweber, M.,Werni, P.,Wolkerstorfer, B.,Breitsprecher, D.,Baaske, P.,Pearson, M.,McConnell, D.B.,Bottcher, J. Getting a Grip on the Undrugged: Targeting beta-Catenin with Fragment-Based Methods. Chemmedchem, 16:1420-1424, 2021 Cited by PubMed: 33275320 DOI: 10.1002/cmdc.202000839 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.814 Å)

Structure validation