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Structure paper

TitleToxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Journal, issue, pagesNat. Struct. Mol. Biol., Vol. 17, Page 602-607, Year 2010
Publish dateJul 8, 2009 (structure data deposition date)
AuthorsOjo, K.K. / Larson, E.T. / Keyloun, K.R. / Castaneda, L.J. / Derocher, A.E. / Inampudi, K.K. / Kim, J.E. / Arakaki, T.L. / Murphy, R.C. / Zhang, L. ...Ojo, K.K. / Larson, E.T. / Keyloun, K.R. / Castaneda, L.J. / Derocher, A.E. / Inampudi, K.K. / Kim, J.E. / Arakaki, T.L. / Murphy, R.C. / Zhang, L. / Napuli, A.J. / Maly, D.J. / Verlinde, C.L. / Buckner, F.S. / Parsons, M. / Hol, W.G. / Merritt, E.A. / Van Voorhis, W.C.
External linksNat. Struct. Mol. Biol. / PubMed:20436472
MethodsX-ray diffraction
Resolution1.98 - 2.04 Å
Structure data

PDB-3i79:
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-3i7b:
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1
Method: X-RAY DIFFRACTION / Resolution: 1.988 Å

PDB-3i7c:
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NA-PP2
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-BK1:
1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-BK2:
1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Source
  • toxoplasma gondii (eukaryote)
KeywordsTRANSFERASE / protein kinase / calmodulin / EF hand / bumped kinase inhibitor / ATP-binding / Kinase / Nucleotide-binding / Serine/threonine-protein kinase / Structural Genomics / Medical Structural Genomics of Pathogenic Protozoa / MSGPP

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