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Structure paper

TitleCrystal structure of TgCDPK1 with inhibitor bound
Journal, issue, pagesTo be Published
Publish dateDec 14, 2012 (structure data deposition date)
AuthorsEl Bakkouri, M. / Tempel, W. / Crandall, I.E. / Massad, T. / Loppnau, P. / Graslund, S. / Bountra, C. / Arrowsmith, C.H. / Edwards, A.M. / Kain, C.K. ...El Bakkouri, M. / Tempel, W. / Crandall, I.E. / Massad, T. / Loppnau, P. / Graslund, S. / Bountra, C. / Arrowsmith, C.H. / Edwards, A.M. / Kain, C.K. / Shokat, K.M. / Sibley, L.D. / Hui, R. / Structural Genomics Consortium (SGC)
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.11 - 2.877 Å
Structure data

PDB-4ifg:
Crystal structure of TgCDPK1 with inhibitor bound
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-4ih8:
Crystal structure of TgCDPK1 with inhibitor bound
Method: X-RAY DIFFRACTION / Resolution: 2.877 Å

PDB-4ihp:
Crystal structure of TgCDPK1 with inhibitor bound
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

Chemicals

ChemComp-1E8:
1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one

ChemComp-UNX:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-B43:
4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane

ChemComp-1FB:
1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Source
  • toxoplasma gondii (eukaryote)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Structural Genomics / Structural Genomics Consortium / SGC / Kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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