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Structure paper

TitleCrystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
Journal, issue, pagesJ. Med. Chem., Vol. 47, Page 1767-1774, Year 2004
Publish dateJan 9, 2004 (structure data deposition date)
AuthorsBinda, C. / Li, M. / Herzig, Y. / Sterling, J. / Edmondson, D.E. / Mattevi, A.
External linksJ. Med. Chem. / PubMed:15027868
MethodsX-ray diffraction
Resolution1.6 - 2.12 Å
Structure data

PDB-1s2q:
Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline)
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-1s2y:
Crystal structure of MAOB in complex with N-propargyl-1(S)-aminoindan
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-1s3b:
Crystal structure of MAOB in complex with N-methyl-N-propargyl-1(R)-aminoindan
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-1s3e:
Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1(R)-aminoindan
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

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

ChemComp-RAS:
(1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine / medication*YM

ChemComp-HOH:
WATER

ChemComp-RSA:
N-PROPARGYL-1(S)-AMINOINDAN

ChemComp-RMA:
N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE

ChemComp-RHP:
(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / human monoamine oxidase / inhibitor binding / rasagiline / enantioselectivity / flavin

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