6YXI

Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor

Summary for 6YXI

Entry DOI	10.2210/pdb6yxi/pdb
Descriptor	Palmitoleoyl-protein carboxylesterase NOTUM, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
Functional Keywords	inhibitor, complex, wnt pathway, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	44912.76
Authors	Vecchia, L.,Jones, E.Y.,Ruza, R.R.,Hillier, J.,Zhao, Y. (deposition date: 2020-05-01, release date: 2020-08-19, Last modification date: 2024-01-24)
Primary citation	Mahy, W.,Patel, M.,Steadman, D.,Woodward, H.L.,Atkinson, B.N.,Svensson, F.,Willis, N.J.,Flint, A.,Papatheodorou, D.,Zhao, Y.,Vecchia, L.,Ruza, R.R.,Hillier, J.,Frew, S.,Monaghan, A.,Costa, A.,Bictash, M.,Walter, M.W.,Jones, E.Y.,Fish, P.V. Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63:9464-9483, 2020 Cited by PubMed: 32787107 DOI: 10.1021/acs.jmedchem.0c00660 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.34 Å)

Structure validation