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Structure Report for: 8AI7

Name|Human butyrylcholinesterase in complex with Cpd-6-8AI7
Revelation date|01-Feb-2023
Family|BCHE: there are 125 genes in this family, 91 structure(s)
Gene_locus|human-BCHE
PDB File|ESTHER: header of PDB entry RCSB: Full entry
Comment|
Anze Meden, Damijan Knez, Xavier Brazzolotto, Fabrice Modeste, Andrej Perdih, Anja Pislar, Masa Zorman, Milica Denic, Stane Pajk, Florian Nachon, Stanislav Gobec
Ligand|Inhibitor: Cpd-6-8AI7 Ligand in structure: Ligplot


Reference

    Title: Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead
    Meden A, Knez D, Brazzolotto X, Modeste F, Perdih A, Pislar A, Zorman M, Zorovic M, Denic M and Gobec S <3 more author(s)>
    Ref: Eur Journal of Medicinal Chemistry, 247:115048, 2022 : PubMed

            

    Title: Pseudo-irreversible butyrylcholinesterase inhibitors: SAR, kinetic, computational, and crystallographic study of the N-dialkyl O-arylcarbamate warhead
    Meden A, Knez D, Brazzolotto X, Modeste F, Perdih A, Pislar A, Zorman M, Denic M, Pajk S and Gobec S <1 more author(s)>
    Ref: Chemrxiv, :, 2022 : PubMed

            



Representative scheme of BCHE structure and an image from PDBsum server



Databases

PDB-Sum8AI7 Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP8AI7 Fold classification based on Structure-Structure alignment of Proteins - FSSP server
SCOP8AI7 Structural Classification Of Protein - SCOP server
PROTEOPEDIA8ai7 3D, interactive encyclopedia of proteins - PROTEOPEDIA server



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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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