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TitleThe reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 1744-1748, Year 2006
Publish dateJun 9, 2005 (structure data deposition date)
AuthorsNordhoff, S. / Cerezo-Galvez, S. / Feurer, A. / Hill, O. / Matassa, V.G. / Metz, G. / Rummey, C. / Thiemann, M. / Edwards, P.J.
External linksBioorg. Med. Chem. Lett. / PubMed:16376544
MethodsX-ray diffraction
Resolution2.5 - 2.66 Å
Structure data

PDB-2bua:
Crystal Structure Of Porcine Dipeptidyl Peptidase IV (Cd26) in Complex With a Low Molecular Weight Inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.56 Å

PDB-2bub:
Crystal Structure Of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.66 Å

PDB-2buc:
Crystal Structure Of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with a Tetrahydroisoquinoline Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-007:
1-METHYLAMINE-1-BENZYL-CYCLOPENTANE

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-FPB:
N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE

ChemComp-008:
(S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE

Source
  • sus scrofa (pig)
  • homo sapiens (human)
KeywordsHYDROLASE/INHIBITOR / DPP-IV / DIABETES MELLITUS / DRUG DESIGN / HYDROLASE / SERINE PROTEASE / AMINOPEPTIDASE / GLYCOPROTEIN / PROTEASE / SIGNAL- ANCHOR / TRANSMEMBRANE / COMPLEX (HYDROLASE-INHIBITOR) / HYDROLASE-INHIBITOR complex / SIGNAL-ANCHOR / COMPLEX

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