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TitleStructure-Guided Optimization of Novel Inhibitors of Plasmodium Lysyl-tRNA Synthetase with Multistage Activity against Malaria Parasites.
Journal, issue, pagesJ. Med. Chem., Vol. 69, Page 13820-13855, Year 2026
Publish dateApr 29, 2025 (structure data deposition date)
AuthorsForte, B. / Bellany, F. / Campbell, P.S. / Chemi, G. / Dawson, A. / Anderson, M. / Aniweh, Y. / Burkhard, A.Y. / Aguiar, A.C.C. / Churchyard, A. ...Forte, B. / Bellany, F. / Campbell, P.S. / Chemi, G. / Dawson, A. / Anderson, M. / Aniweh, Y. / Burkhard, A.Y. / Aguiar, A.C.C. / Churchyard, A. / Cooper, C.A. / Dos Santos Ferreira, A. / Famodimu, M.T. / Fang, F.G. / Hu, X. / Huijs, T. / Baud, D. / Jansen, C. / Jimenez Diaz, M.B. / Bonnert, R. / Boyd, S. / Crespo-Fernandez, B. / Mitasev, B. / Montagna, S. / Mok, S. / Murugesan, D. / Narwal, S.K. / Norcross, N.R. / Okombo, J. / Park, H. / Peet, C. / Pereira, D.B. / Post, J.M. / Reader, J. / Riley, J. / Robinson, D.A. / Shinkyo, R. / Simeons, F.R.C. / Simpson, L. / Smith, A. / Smith, D. / Striepen, J. / Teles, C.B.G. / van der Laak, R. / Uhlemann, A.C. / Vantaux, A. / Wilson, C. / Witkowski, B. / Wood, G. / Yeo, T. / Zuccotto, F. / Angulo-Barturen, I. / Baum, J. / Bolscher, J.M. / Guido, R.V.C. / Birkholtz, L.M. / Delves, M.J. / Dembele, L. / Fidock, D.A. / Gamo, F.J. / Kyle, D.E. / Maher, S.P. / Popovici, J. / Walpole, C. / Gusovsky, F. / Willis, P.A. / Read, K.D. / Gilbert, I.H. / Baragana, B.
External linksJ. Med. Chem. / PubMed:42227818
MethodsX-ray diffraction
Resolution1.5 - 2.3 Å
Structure data

PDB-9r2c:
CpKRS in complex with inhibitor DDD01038762
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-9r32:
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01887015
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-9r3f:
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01932549
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-9r3g:
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum / Plasmodium falciparum chimera COMPLEXED WITH L-LYSINE AND INHIBITOR DDD02174286
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-9r3r:
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01827593
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-LYS:
LYSINE

PDB-1jcs:
CRYSTAL STRUCTURE OF RAT PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH THE PEPTIDE SUBSTRATE TKCVFM AND AN ANALOG OF FARNESYL DIPHOSPHATE

ChemComp-SO4:
SULFATE ION

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

ChemComp-HOH:
WATER

PDB-1jct:
Glucarate Dehydratase, N341L mutant Orthorhombic Form

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

PDB-1jc7:
The Laminin-Binding Domain of Agrin is Structurally Related to N-TIMP-1

PDB-1jc4:
Crystal Structure of Se-Met Methylmalonyl-CoA Epimerase

PDB-1jc9:
TACHYLECTIN 5A FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB)

Source
  • cryptosporidium parvum iowa ii (eukaryote)
KeywordsLIGASE / inhibitor

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