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TitleDesign of Benzyl-triazolopyrimidine-Based NADPH Oxidase Inhibitors Leads to the Discovery of a Potent Dual Covalent NOX2/MAOB Inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 6292-6311, Year 2025
Publish dateMay 31, 2024 (structure data deposition date)
AuthorsNoce, B. / Marchese, S. / Massari, M. / Lambona, C. / Reis, J. / Fiorentino, F. / Raucci, A. / Fioravanti, R. / Casteloa, M. / Mormino, A. ...Noce, B. / Marchese, S. / Massari, M. / Lambona, C. / Reis, J. / Fiorentino, F. / Raucci, A. / Fioravanti, R. / Casteloa, M. / Mormino, A. / Garofalo, S. / Limatola, C. / Basile, L. / Gottinger, A. / Binda, C. / Mattevi, A. / Mai, A. / Valente, S.
External linksJ. Med. Chem. / PubMed:40042998
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-9fjt:
Human Monoamine Oxidase B in complex with MC4762 inhibitor (9a) at 1.4 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-C15:
N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE

PDB-1idi:
THE NMR SOLUTION STRUCTURE OF ALPHA-BUNGAROTOXIN

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsFLAVOPROTEIN / MAO / amine oxidase / oxidase

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