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TitleDesign and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 140, Page 2151-2164, Year 2018
Publish dateOct 2, 2017 (structure data deposition date)
AuthorsJuncosa, J.I. / Takaya, K. / Le, H.V. / Moschitto, M.J. / Weerawarna, P.M. / Mascarenhas, R. / Liu, D. / Dewey, S.L. / Silverman, R.B.
External linksJ. Am. Chem. Soc. / PubMed:29381352
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-6b6g:
Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-FES:
FE2/S2 (INORGANIC) CLUSTER

ChemComp-RMT:
(3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • sus scrofa (pig)
KeywordsTRANSFERASE / Inactivator / GABA Aminotransferase / PLP

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