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Structure paper

TitleDiscovery of 7-oxo-pyrrolopyridines as potent and selective inhibitors of dpp4
Journal, issue, pagesTo be Published
Publish dateDec 16, 2010 (structure data deposition date)
AuthorsWang, W. / Devasthale, P. / Wang, A. / Egan, D. / Morgan, N. / Cap, M. / Fura, A. / Klei, H.E. / Kish, K. / Sun, L. ...Wang, W. / Devasthale, P. / Wang, A. / Egan, D. / Morgan, N. / Cap, M. / Fura, A. / Klei, H.E. / Kish, K. / Sun, L. / Levesque, P. / Zahler, R. / Kirby, M. / Hamann, L.G.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.401 Å
Structure data

PDB-3q0t:
Crystal structure of human dpp-iv in complex withsa-(+)- methyl2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl- 7-oxo-5h-pyrrolo[3,4-b]pyridin-6(7h)-yl)acetate
Method: X-RAY DIFFRACTION / Resolution: 2.401 Å

Chemicals

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

ChemComp-LGE:
methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]acetate

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordshydrolase/hydrolase inhibitor / EXOPEPTIDASE / ALPHA/BETA HYDROLASE FOLD / BETA BARREL / BETA PROPELLER / AMINOPEPTIDASE / GLYCOPROTEIN / MEMBRANE / SERINE PROTEASE / SIGNAL-ANCHOR / TRANSMEMBRANE / hydrolase-hydrolase inhibitor complex

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