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TitleSAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 6, Page 1184-1189, Year 2015
Publish dateMar 3, 2015 (structure data deposition date)
AuthorsHuang, W. / Ojo, K.K. / Zhang, Z. / Rivas, K. / Vidadala, R.S. / Scheele, S. / DeRocher, A.E. / Choi, R. / Hulverson, M.A. / Barrett, L.K. ...Huang, W. / Ojo, K.K. / Zhang, Z. / Rivas, K. / Vidadala, R.S. / Scheele, S. / DeRocher, A.E. / Choi, R. / Hulverson, M.A. / Barrett, L.K. / Bruzual, I. / Siddaramaiah, L.K. / Kerchner, K.M. / Kurnick, M.D. / Freiberg, G.M. / Kempf, D. / Hol, W.G. / Merritt, E.A. / Neckermann, G. / de Hostos, E.L. / Isoherranen, N. / Maly, D.J. / Parsons, M. / Doggett, J.S. / Van Voorhis, W.C. / Fan, E.
External linksAcs Med. Chem. Lett. / PubMed:26693272
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-4yjn:
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-UW4:
5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide

ChemComp-HOH:
WATER

Source
  • toxoplasma gondii (eukaryote)
KeywordsTransferase/Transferase Inhibitor / serine/threonine protein kinase / transferase / calcium-binding / ATP-binding / bumped kinase inhibitor / Transferase-Transferase Inhibitor complex

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