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TitleDiscovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 3517-3531, Year 2011
Publish dateAug 3, 2010 (structure data deposition date)
AuthorsMiyamoto, Y. / Banno, Y. / Yamashita, T. / Fujimoto, T. / Oi, S. / Moritoh, Y. / Asakawa, T. / Kataoka, O. / Yashiro, H. / Takeuchi, K. ...Miyamoto, Y. / Banno, Y. / Yamashita, T. / Fujimoto, T. / Oi, S. / Moritoh, Y. / Asakawa, T. / Kataoka, O. / Yashiro, H. / Takeuchi, K. / Suzuki, N. / Ikedo, K. / Kosaka, T. / Tsubotani, S. / Tani, A. / Sasaki, M. / Funami, M. / Amano, M. / Yamamoto, Y. / Aertgeerts, K. / Yano, J. / Maezaki, H.
External linksJ. Med. Chem. / PubMed:21218817
MethodsX-ray diffraction
Resolution2.75 - 2.85 Å
Structure data

PDB-3o95:
Crystal Structure of Human DPP4 Bound to TAK-100
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-3o9v:
Crystal Structure of Human DPP4 Bound to TAK-986
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

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

ChemComp-01T:
[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid

ChemComp-HOH:
WATER

ChemComp-10T:
5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE / SIGNALING PROTEIN/INHIBITOR / protease and 8-bladed beta-propeller domain / Aminopeptidase / Cell membrane / Glycoprotein / Membrane / Protease / Secreted / Serine protease / Signal-anchor / Transmembrane / SIGNALING PROTEIN / SIGNALING PROTEIN-INHIBITOR complex

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