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TitleOptimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Journal, issue, pagesChemmedchem, Vol. 18, Page e202200310-e202200310, Year 2023
Publish dateMar 26, 2018 (structure data deposition date)
AuthorsWallner, O. / Cazares-Korner, A. / Scaletti, E.R. / Masuyer, G. / Bekkhus, T. / Visnes, T. / Mamonov, K. / Ortis, F. / Lundback, T. / Volkova, M. ...Wallner, O. / Cazares-Korner, A. / Scaletti, E.R. / Masuyer, G. / Bekkhus, T. / Visnes, T. / Mamonov, K. / Ortis, F. / Lundback, T. / Volkova, M. / Koolmeister, T. / Wiita, E. / Loseva, O. / Pandey, M. / Homan, E. / Benitez-Buelga, C. / Davies, J. / Scobie, M. / Warpman Berglund, U. / Kalderen, C. / Stenmark, P. / Helleday, T. / Michel, M.
External linksChemmedchem / PubMed:36128847
MethodsX-ray diffraction
Resolution2.45 - 2.49 Å
Structure data

PDB-6g40:
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH9525
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-7pz1:
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-ELK:
~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-NI:
NICKEL (II) ION

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-8HA:
4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

Source
  • mus musculus (house mouse)
KeywordsDNA BINDING PROTEIN / N-glycosylase / DNA lyase / glycosylase

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