6RXC

Leishmania major pteridine reductase 1 (LmPTR1) in complex with inhibitor 4 (NMT-C0026)

Summary for 6RXC

Entry DOI	10.2210/pdb6rxc/pdb
Related	6RX0 6RX5 6RX6
Descriptor	Pteridine reductase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate, ... (5 entities in total)
Functional Keywords	leishmania major, pteridine reductase, lmptr1, pteridine based inhibitors, oxidoreductase
Biological source	Leishmania major More
Total number of polymer chains	4
Total formula weight	127883.27
Authors	Di Pisa, F.,Dello Iacono, L.,Pozzi, C.,Mangani, S. (deposition date: 2019-06-07, release date: 2020-07-15, Last modification date: 2024-01-24)
Primary citation	Pohner, I.,Quotadamo, A.,Panecka-Hofman, J.,Luciani, R.,Santucci, M.,Linciano, P.,Landi, G.,Di Pisa, F.,Dello Iacono, L.,Pozzi, C.,Mangani, S.,Gul, S.,Witt, G.,Ellinger, B.,Kuzikov, M.,Santarem, N.,Cordeiro-da-Silva, A.,Costi, M.P.,Venturelli, A.,Wade, R.C. Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1. J.Med.Chem., 65:9011-9033, 2022 Cited by PubMed: 35675511 DOI: 10.1021/acs.jmedchem.2c00232 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation