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Structure paper

TitleNovel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 7636-, Year 2012
Publish dateJun 22, 2012 (structure data deposition date)
AuthorsRuf, S. / Buning, C. / Schreuder, H. / Horstick, G. / Linz, W. / Olpp, T. / Pernerstorfer, J. / Hiss, K. / Kroll, K. / Kannt, A. ...Ruf, S. / Buning, C. / Schreuder, H. / Horstick, G. / Linz, W. / Olpp, T. / Pernerstorfer, J. / Hiss, K. / Kroll, K. / Kannt, A. / Kohlmann, M. / Linz, D. / Hubschle, T. / Rutten, H. / Wirth, K. / Schmidt, T. / Sadowski, T.
External linksJ. Med. Chem. / PubMed:22861813
MethodsX-ray diffraction
Resolution2.04 - 2.17 Å
Structure data

PDB-4az0:
crystal structure of cathepsin a, complexed with 8a.
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-4az3:
crystal structure of cathepsin a, complexed with 15a
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

Chemicals

ChemComp-S61:
(S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid

ChemComp-CD:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-S35:
(3S)-3-({[1-(2-fluorophenyl)-5-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE / DRUG DISCOVERY / CARDIOVASCULAR DRUG / CARBOXYPEPTIDASE / CARDIOVASCULAR

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