6ZUV

Name : Structure of the human Wnt deacylase Notum in complex with fragment 286 (Compound 7, 4F-329S)

Revelation date : 11-Nov-2020

Family : Pectinacetylesterase-Notum

Gene_locus : human-NOTUM

PDB file : ESTHER: header of PDB entry RCSB: Full entry

Comment
Zhao, Y.,Jones, E.Y. || The derivative of Fragment-286 (26 4F-329S in 6ZUV (Mahy et al.) one of the only fragment with a relatively low IC50 11.5+\/-3.0 microM). The trifluoro variant (ARUK3000223 7b in 7PKV) has a IC50 0.065 microM

Ligand :

References (3)

Title : Structural Analysis and Development of Notum Fragment Screening Hits - Zhao_2022_ACS.Chem.Neurosci_13_2060
Author(s) : Zhao Y , Mahy W , Willis NJ , Woodward HL , Steadman D , Bayle ED , Atkinson BN , Sipthorp J , Vecchia L , Ruza RR , Harlos K , Jeganathan F , Constantinou S , Costa A , Kjaer S , Bictash M , Salinas PC , Whiting P , Vincent JP , Fish PV , Jones EY
Ref : ACS Chem Neurosci , 13 :2060 , 2022
PubMedID: 35731924
Gene_locus related to this paper: human-NOTUM

Title : Design of a potent, selective and brain penetrant inhibitor of Wnt-deactivating enzyme Notum by optimization of a crystallographic fragment hit - Willis_2022_J.Med.Chem_65_7212
Author(s) : Willis NJ , Mahy W , Sipthorp J , Zhao Y , Woodward HL , Atkinson BN , Bayle ED , Svensson F , Frew S , Jeganathan F , Monaghan A , Benvegnu S , Jolly S , Vecchia L , Ruza RR , Kjaer S , Howell SA , Snidjers AP , Bictash M , Salinas PC , Vincent JP , Jones EY , Whiting P , Fish PV
Ref : Journal of Medicinal Chemistry , 65 :7212 , 2022
PubMedID: 35536179
Gene_locus related to this paper: human-NOTUM

Title : 5-Phenyl-1,3,4-oxadiazol-2(3H)-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit - Mahy_2020_J.Med.Chem_63_12942
Author(s) : Mahy W , Willis NJ , Zhao Y , Woodward HL , Svensson F , Sipthorp J , Vecchia L , Ruza RR , Hillier J , Kjr S , Frew S , Monaghan A , Bictash M , Salinas PC , Whiting P , Vincent JP , Jones EY , Fish PV
Ref : Journal of Medicinal Chemistry , 63 :12942 , 2020
PubMedID: 33124429
Gene_locus related to this paper: human-NOTUM

Representative scheme of Prolylcarboxypeptidase structure and an image from PDBsum server

Databases

PDB-Sum : 6ZUV Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server

FSSP : 6ZUV Fold classification based on Structure-Structure alignment of Proteins - FSSP server

SCOP : 6ZUV Structural Classification Of Protein - SCOP server

PROTEOPEDIA : 6ZUV 3D, interactive encyclopedia of proteins - PROTEOPEDIA server