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Structure paper

TitleStereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 1361-1387, Year 2020
Publish dateApr 30, 2019 (structure data deposition date)
AuthorsKnez, D. / Colettis, N. / Iacovino, L.G. / Sova, M. / Pislar, A. / Konc, J. / Lesnik, S. / Higgs, J. / Kamecki, F. / Mangialavori, I. ...Knez, D. / Colettis, N. / Iacovino, L.G. / Sova, M. / Pislar, A. / Konc, J. / Lesnik, S. / Higgs, J. / Kamecki, F. / Mangialavori, I. / Dolsak, A. / Zakelj, S. / Trontelj, J. / Kos, J. / Binda, C. / Marder, M. / Gobec, S.
External linksJ. Med. Chem. / PubMed:31917923
MethodsX-ray diffraction
Resolution1.7 - 2.3 Å
Structure data

PDB-6rkb:
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6rkp:
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6rle:
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

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

ChemComp-K6Q:
4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine

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

ChemComp-HOH:
WATER

ChemComp-K72:
1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine

ChemComp-GOL:
GLYCEROL

ChemComp-K8B:
4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine

Source
  • homo sapiens (human)
KeywordsFLAVOPROTEIN / monoamine oxidase / drug target / neurodegeneration / flavin / isomer / mitochondrial membrane

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