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Structure paper

TitleInhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry
Journal, issue, pagesChem. Res. Toxicol., Vol. 26, Page 280-, Year 2013
Publish dateSep 30, 2012 (structure data deposition date)
AuthorsCarletti, E. / Colletier, J.-P. / Schopfer, L.M. / Santoni, G. / Masson, P. / Lockridge, O. / Nachon, F. / Weik, M.
External linksChem. Res. Toxicol. / PubMed:23339663
MethodsX-ray diffraction
Resolution2.7 - 3.35 Å
Structure data

PDB-4bbz:
Structure of human butyrylcholinesterase inhibited by CBDP (2-min soak): Cresyl-phosphoserine adduct
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-4bc0:
Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct
Method: X-RAY DIFFRACTION / Resolution: 3.35 Å

PDB-4bc1:
Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

Chemicals

ChemComp-UNX:
Unknown entry

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-4OJ:
(2-methylphenyl) dihydrogen phosphate

ChemComp-HOH:
WATER

ChemComp-TQV:
O-CRESYL-SALIGENIN PHOSPHATE

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
KeywordsHYDROLASE / ACETYLCHOLINESTERASE / NERVE TRANSMISSION / INHIBITION / ALPHA-BETA HYDROLASE / BUTYRYLCHOLINESTERASE / INHIBITOR

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