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Structure paper

TitleStructure-guided Discovery of Dual-recognition Chemibodies.
Journal, issue, pagesSci Rep, Vol. 8, Page 7570-7570, Year 2018
Publish dateMay 16, 2017 (structure data deposition date)
AuthorsCheng, A.C. / Doherty, E.M. / Johnstone, S. / DiMauro, E.F. / Dao, J. / Luthra, A. / Ye, J. / Tang, J. / Nixey, T. / Min, X. ...Cheng, A.C. / Doherty, E.M. / Johnstone, S. / DiMauro, E.F. / Dao, J. / Luthra, A. / Ye, J. / Tang, J. / Nixey, T. / Min, X. / Tagari, P. / Miranda, L.P. / Wang, Z.
External linksSci Rep / PubMed:29765112
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-5vta:
Co-Crystal Structure of DPPIV with a Chemibody Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

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

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-9K4:
2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
  • mus musculus (house mouse)
KeywordsHYDROLASE / chemibody

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