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Structure paper

Title2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 2027-2030, Year 2013
Publish dateDec 13, 2012 (structure data deposition date)
AuthorsGolebiowski, A. / Paul Beckett, R. / Van Zandt, M. / Ji, M.K. / Whitehouse, D. / Ryder, T.R. / Jagdmann, E. / Andreoli, M. / Mazur, A. / Padmanilayam, M. ...Golebiowski, A. / Paul Beckett, R. / Van Zandt, M. / Ji, M.K. / Whitehouse, D. / Ryder, T.R. / Jagdmann, E. / Andreoli, M. / Mazur, A. / Padmanilayam, M. / Cousido-Siah, A. / Mitschler, A. / Ruiz, F.X. / Podjarny, A. / Schroeter, H.
External linksBioorg. Med. Chem. Lett. / PubMed:23453840
MethodsX-ray diffraction
Resolution2.0006 - 2.3522 Å
Structure data

PDB-4ie1:
Crystal structure of human Arginase-1 complexed with inhibitor 1h
Method: X-RAY DIFFRACTION / Resolution: 2.0006 Å

PDB-4ie2:
Crystal structure of human Arginase-2 complexed with inhibitor 1h
Method: X-RAY DIFFRACTION / Resolution: 2.2082 Å

PDB-4ie3:
Crystal structure of human Arginase-2 complexed with inhbitor 1o
Method: X-RAY DIFFRACTION / Resolution: 2.3522 Å

Chemicals

ChemComp-1EC:
[(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)

ChemComp-MN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-BEN:
BENZAMIDINE

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-1EE:
[(5R)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-)

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase inhibitor / Boron compounds / metalloenzyme / alpha/beta fold / Hydrolase / Arginine metabolism / Manganese / Hydrolase-Hydrolase inhibitor complex / Mitochondrion

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