6RX5

Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 1 (NMT-C0003)

Summary for 6RX5

• Entry DOI: 10.2210/pdb6rx5/pdb
• Related: 6RX0
• Descriptor: Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, ... (6 entities in total)
• Functional Keywords: trypanosoma brucei, pteridine reductase, ptr1, tbptr1, pteridine based inhibitors, oxidoreductase
• Biological source: Trypanosoma brucei brucei
• Total number of polymer chains: 4
• Total formula weight: 127155.40

Authors

Landi, G.,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; PubMed: 35675511; DOI: 10.1021/acs.jmedchem.2c00232

Experimental method

X-RAY DIFFRACTION (1.42 Å)