9R3R

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01827593

This is a non-PDB format compatible entry.

Summary for 9R3R

• Entry DOI: 10.2210/pdb9r3r/pdb
• Related: 9r2c
• Descriptor: Lysine--tRNA ligase, LYSINE, 6-azanyl-2-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-4-(trifluoromethyl)-1~{H}-pyrrolo[3,4-c]pyridin-3-one, ... (5 entities in total)
• Functional Keywords: inhibitor, ligase
• Biological source: Cryptosporidium parvum Iowa II
• Total number of polymer chains: 2
• Total formula weight: 124039.24

Authors

Dawson, A.,Baragana, B.,Forte, B.,Robinson, D.A. (deposition date: 2025-05-06, release date: 2026-06-10)

• Primary citation: 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.,Simpson, L.,Smith, A.,Smith, D.,Striepen, J.,Teles, C.B.,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.; Structure-Guided Optimization of Novel Inhibitors of Plasmodium Lysyl-tRNA Synthetase with Multistage Activity against Malaria Parasites; J.Med.Chem., 2026; DOI: 10.1021/acs.jmedchem.6c00823

Experimental method

X-RAY DIFFRACTION (1.5 Å)