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Structure paper

TitleSynthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 4837-4841, Year 2013
Publish dateJan 28, 2013 (structure data deposition date)
AuthorsGolebiowski, A. / Whitehouse, D. / Beckett, R.P. / Van Zandt, M. / Ji, M.K. / Ryder, T.R. / Jagdmann, E. / Andreoli, M. / Lee, Y. / Sheeler, R. ...Golebiowski, A. / Whitehouse, D. / Beckett, R.P. / Van Zandt, M. / Ji, M.K. / Ryder, T.R. / Jagdmann, E. / Andreoli, M. / Lee, Y. / Sheeler, R. / Conway, B. / Olczak, J. / Mazur, M. / Czestkowski, W. / Piotrowska, W. / Cousido-Siah, A. / Ruiz, F.X. / Mitschler, A. / Podjarny, A. / Schroeter, H.
External linksBioorg. Med. Chem. Lett. / PubMed:23886684
MethodsX-ray diffraction
Resolution1.9 - 2.3 Å
Structure data

PDB-4ixu:
Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4ixv:
Crystal structure of human Arginase-2 complexed with inhibitor 2d: {(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-BEN:
BENZAMIDINE

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-38I:
{(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)

ChemComp-HOH:
WATER

ChemComp-XA1:
{(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / metalloenzyme / alpha/beta fold / Hydrolase / Arginine metabolism / Manganese / boronate / Mitochondrion / HYDROLASE-HYDROLASE INHIBITOR complex

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