6R8R

Structure of the Wnt deacylase Notum in complex with isoquinoline 45

Summary for 6R8R

Entry DOI	10.2210/pdb6r8r/pdb
Descriptor	Palmitoleoyl-protein carboxylesterase NOTUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide, ... (7 entities in total)
Functional Keywords	wnt signalling, notum inhibitor, crystallographic fragment screen, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	45860.54
Authors	Vecchia, L.,Zhao, Y.,Ruza, R.R.,Jones, E.Y. (deposition date: 2019-04-02, release date: 2019-05-08, Last modification date: 2024-01-24)
Primary citation	Atkinson, B.N.,Steadman, D.,Zhao, Y.,Sipthorp, J.,Vecchia, L.,Ruza, R.R.,Jeganathan, F.,Lines, G.,Frew, S.,Monaghan, A.,Kjær, S.,Bictash, M.,Jones, E.Y.,Fish, P.V. Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10:1361-1369, 2019 Cited by PubMed: 31534655 DOI: 10.1039/c9md00096h PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.27 Å)

Structure validation