Science Advances

Supplementary Materials

This PDF file includes:

  • Fig. S1. Electron density maps of ligands in the TmPPase:IDP:ATC structure.
  • Fig. S2. Asymmetric unit of TmPPase:IDP:ATC.
  • Fig. S3. Oligomerization state of TmPPase upon the addition of inhibitors.
  • Fig. S4. Comparison of the ATC binding sites in different TmPPase structures.
  • Fig. S5. Differences in the ATC binding site between monomers of the TmPPase:IDP:ATC structure.
  • Fig. S6. Effect of ATC on growth of P. falciparum and on PfPPase.
  • Fig. S7. Linearity of TmPPase activity as a function of time and concentration.
  • Fig. S8. Multiple sequence alignment of mPPases from different organisms.
  • Scheme S1. Synthesis of analogs of 1 with heavy and basic atoms.
  • Table S1. X-ray data collection and refinement statistics.
  • Table S2. RMSD of TmPPase monomer in the asymmetric unit relative to monomer A.
  • Table S3. Major interactions of ATC with chains A and D.
  • Table S4. RMSD between chains A and B of loops in different TmPPase structures.
  • Table S5. RMSD of chain A of TmPPase:IDP:ATC loops to chain A of TmPPase:IDP loops.
  • Table S6. Hill constant of TmPPase inhibition by ATC at different substrate concentrations.
  • References (5658)

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