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Structure paper

TitleStructure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 3467-3503, Year 2024
Publish dateSep 27, 2022 (structure data deposition date)
AuthorsGilleran, J.A. / Ashraf, K. / Delvillar, M. / Eck, T. / Fondekar, R. / Miller, E.B. / Hutchinson, A. / Dong, A. / Seitova, A. / De Souza, M.L. ...Gilleran, J.A. / Ashraf, K. / Delvillar, M. / Eck, T. / Fondekar, R. / Miller, E.B. / Hutchinson, A. / Dong, A. / Seitova, A. / De Souza, M.L. / Augeri, D. / Halabelian, L. / Siekierka, J. / Rotella, D.P. / Gordon, J. / Childers, W.E. / Grier, M.C. / Staker, B.L. / Roberge, J.Y. / Bhanot, P.
External linksJ. Med. Chem. / PubMed:38372781
MethodsX-ray diffraction
Resolution2.54 Å
Structure data

PDB-8em8:
Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165
Method: X-RAY DIFFRACTION / Resolution: 2.54 Å

Chemicals

ChemComp-WLK:
[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone

ChemComp-UNX:
Unknown entry

ChemComp-HOH:
WATER

Source
  • plasmodium falciparum (isolate 3d7) (eukaryote)
KeywordsTRANSFERASE / SGC / cGMP-kinase / inhibitor / Structural Genomics / Structural Genomics Consortium

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