6GEX

Trypanosoma brucei PTR1 in complex with inhibitor 2h (F246)

Summary for 6GEX

Entry DOI	10.2210/pdb6gex/pdb
Related	6GCK 6GCL 6GCP 6GCQ 6GD0 6GD4 6GDO 6GDP
Descriptor	Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide, ... (6 entities in total)
Functional Keywords	trypanosoma brucei, pteridine reductase, ptr1, tbptr1, benzothiazole, oxidoreductase
Biological source	Trypanosoma brucei brucei
Total number of polymer chains	4
Total formula weight	127079.57
Authors	Pozzi, C.,Landi, G.,Mangani, S. (deposition date: 2018-04-27, release date: 2019-04-03, Last modification date: 2024-01-17)
Primary citation	Linciano, P.,Pozzi, C.,Iacono, L.D.,di Pisa, F.,Landi, G.,Bonucci, A.,Gul, S.,Kuzikov, M.,Ellinger, B.,Witt, G.,Santarem, N.,Baptista, C.,Franco, C.,Moraes, C.B.,Muller, W.,Wittig, U.,Luciani, R.,Sesenna, A.,Quotadamo, A.,Ferrari, S.,Pohner, I.,Cordeiro-da-Silva, A.,Mangani, S.,Costantino, L.,Costi, M.P. Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62:3989-4012, 2019 Cited by PubMed: 30908048 DOI: 10.1021/acs.jmedchem.8b02021 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.78 Å)

Structure validation