6GCL

Trypanosoma brucei PTR1 in complex with inhibitor 3a (F020)

Summary for 6GCL

Entry DOI	10.2210/pdb6gcl/pdb
Related	6GCK
Descriptor	Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-methylsulfonyl-1,3-benzothiazol-2-amine, ... (5 entities in total)
Functional Keywords	oxidoreductase, trypanosoma brucei, pteridine reductase, ptr1, tbptr1, benzothiazole
Biological source	Trypanosoma brucei brucei More
Total number of polymer chains	4
Total formula weight	126613.94
Authors	Landi, G.,Pozzi, C.,Mangani, S. (deposition date: 2018-04-18, 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 (1.95 Å)

Structure validation