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TitleStabilizing Plasmodium falciparum proteins for small molecule drug discovery.
Journal, issue, pagesProtein Sci., Vol. 35, Page e70614-e70614, Year 2026
Publish dateDec 30, 2025 (structure data deposition date)
AuthorsAmann, M. / Strasser, T. / Einsle, O. / Gunther, S.
External linksProtein Sci. / PubMed:42068230
MethodsX-ray diffraction
Resolution1.25 - 2.15 Å
Structure data

PDB-9tsm:
ProteinMPNN mutated PF3D7_1475600 (PfBDP4-BRD, 77.8% sequence identity) in complex with GSK9311
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-9tsn:
ProteinMPNN mutated KREP domain of PF3D7_1343700 (PfK13-KREP, 59,4% sequence identity)
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-8VI:
N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-BU3:
(R,R)-2,3-BUTANEDIOL

ChemComp-HOH:
WATER

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

Source
  • plasmodium falciparum (malaria parasite P. falciparum)
  • plasmodium falciparum 3d7 (eukaryote)
KeywordsTRANSCRIPTION / plasmodium / bromodomain / inhibitor / complex / mutation / UNKNOWN FUNCTION / Propeller domain / Mutant / Protein Design

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