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TitleDiscovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 2568-2580, Year 2013
Publish dateNov 9, 2012 (structure data deposition date)
AuthorsVan Zandt, M.C. / Whitehouse, D.L. / Golebiowski, A. / Ji, M.K. / Zhang, M. / Beckett, R.P. / Jagdmann, G.E. / Ryder, T.R. / Sheeler, R. / Andreoli, M. ...Van Zandt, M.C. / Whitehouse, D.L. / Golebiowski, A. / Ji, M.K. / Zhang, M. / Beckett, R.P. / Jagdmann, G.E. / Ryder, T.R. / Sheeler, R. / Andreoli, M. / Conway, B. / Mahboubi, K. / D'Angelo, G. / Mitschler, A. / Cousido-Siah, A. / Ruiz, F.X. / Howard, E.I. / Podjarny, A.D. / Schroeter, H.
External linksJ. Med. Chem. / PubMed:23472952
MethodsX-ray diffraction
Resolution1.298 - 1.8 Å
Structure data

PDB-4hww:
Crystal structure of human Arginase-1 complexed with inhibitor 9
Method: X-RAY DIFFRACTION / Resolution: 1.298 Å

PDB-4hxq:
Crystal structure of human Arginase-1 complexed with inhibitor 14
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-4hze:
Crystal structure of human Arginase-2 complexed with inhibitor 9
Method: X-RAY DIFFRACTION / Resolution: 1.602 Å

PDB-4i06:
Crystal structure of human Arginase-2 complexed with inhibitor 14
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-X7A:
[(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)

ChemComp-MN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-X8A:
[(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)

ChemComp-BEN:
BENZAMIDINE

ChemComp-BME:
BETA-MERCAPTOETHANOL

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

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