7PKV

Notum_Inhibitor ARUK3000223

Summary for 7PKV

Entry DOI	10.2210/pdb7pkv/pdb
Descriptor	Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (6 entities in total)
Functional Keywords	notum inhibitor, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	44720.50
Authors	Ruza, R.,Zhao, Y.,Fish, P.,Jones, E.Y. (deposition date: 2021-08-26, release date: 2022-09-07, Last modification date: 2024-02-07)
Primary citation	Willis, N.J.,Mahy, W.,Sipthorp, J.,Zhao, Y.,Woodward, H.L.,Atkinson, B.N.,Bayle, E.D.,Svensson, F.,Frew, S.,Jeganathan, F.,Monaghan, A.,Benvegnu, S.,Jolly, S.,Vecchia, L.,Ruza, R.R.,Kjaer, S.,Howell, S.,Snijders, A.P.,Bictash, M.,Salinas, P.C.,Vincent, J.P.,Jones, E.Y.,Whiting, P.,Fish, P.V. Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J.Med.Chem., 65:7212-7230, 2022 Cited by PubMed: 35536179 DOI: 10.1021/acs.jmedchem.2c00162 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.68 Å)

Structure validation