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Structure paper

Title(3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 1991-1995, Year 2009
Publish dateNov 13, 2008 (structure data deposition date)
AuthorsAmmirati, M.J. / Andrews, K.M. / Boyer, D.D. / Brodeur, A.M. / Danley, D.E. / Doran, S.D. / Hulin, B. / Liu, S. / McPherson, R.K. / Orena, S.J. ...Ammirati, M.J. / Andrews, K.M. / Boyer, D.D. / Brodeur, A.M. / Danley, D.E. / Doran, S.D. / Hulin, B. / Liu, S. / McPherson, R.K. / Orena, S.J. / Parker, J.C. / Polivkova, J. / Qiu, X. / Soglia, C.B. / Treadway, J.L. / VanVolkenburg, M.A. / Wilder, D.C. / Piotrowski, D.W.
External linksBioorg. Med. Chem. Lett. / PubMed:19275964
MethodsX-ray diffraction
Resolution2.43 Å
Structure data

PDB-3f8s:
Crystal structure of dipeptidyl peptidase IV in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

Chemicals

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

ChemComp-PF2:
2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine / inhibitor*YM

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Dipeptidyl peptidase 4 / complex / Aminopeptidase / Glycoprotein / Membrane / Protease / Secreted / Serine protease / Signal-anchor / Transmembrane

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