6YUW

STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454

Summary for 6YUW

Entry DOI	10.2210/pdb6yuw/pdb
Descriptor	Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, ... (5 entities in total)
Functional Keywords	wnt, wnt signalling, frizzled, fzd, fragment screen, notum, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	44173.72
Authors	Ruza, R.R.,Hillier, J.,Jones, E.Y. (deposition date: 2020-04-27, release date: 2020-05-06, 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 (1.94 Å)

Structure validation