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Structure paper

TitleFluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 2409-2413, Year 2008
Publish dateJan 29, 2008 (structure data deposition date)
AuthorsEdmondson, S.D. / Wei, L. / Xu, J. / Shang, J. / Xu, S. / Pang, J. / Chaudhary, A. / Dean, D.C. / He, H. / Leiting, B. ...Edmondson, S.D. / Wei, L. / Xu, J. / Shang, J. / Xu, S. / Pang, J. / Chaudhary, A. / Dean, D.C. / He, H. / Leiting, B. / Lyons, K.A. / Patel, R.A. / Patel, S.B. / Scapin, G. / Wu, J.K. / Beconi, M.G. / Thornberry, N.A. / Weber, A.E.
External linksBioorg. Med. Chem. Lett. / PubMed:18331795
MethodsX-ray diffraction
Resolution2.05 - 2.3 Å
Structure data

PDB-3c43:
Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3c45:
Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

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

ChemComp-315:
(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

ChemComp-317:
(2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine

Source
  • homo sapiens (human)
KeywordsHYDROLASE / ALPHA/BETA / BETA-PROPELLER / DIMER / Aminopeptidase / Glycoprotein / Membrane / Protease / Secreted / Serine protease / Signal-anchor / Transmembrane

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