4WCD

Trypanosoma brucei PTR1 in complex with inhibitor 10

Summary for 4WCD

• Entry DOI: 10.2210/pdb4wcd/pdb
• Related: 2YHI 2YHU
• Descriptor: Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ... (6 entities in total)
• Functional Keywords: oxidoreductase, thiadiazole derivatives inhibitors, tbptr1, trypanosoma brucei ptr1
• Biological source: Trypanosoma brucei brucei
• Total number of polymer chains: 4
• Total formula weight: 117147.92

Authors

Mangani, S.,Di Pisa, F.,Pozzi, C. (deposition date: 2014-09-04, release date: 2015-09-30, Last modification date: 2024-01-10)

• Primary citation: Linciano, P.,Dawson, A.,Pohner, I.,Costa, D.M.,Sa, M.S.,Cordeiro-da-Silva, A.,Luciani, R.,Gul, S.,Witt, G.,Ellinger, B.,Kuzikov, M.,Gribbon, P.,Reinshagen, J.,Wolf, M.,Behrens, B.,Hannaert, V.,Michels, P.A.M.,Nerini, E.,Pozzi, C.,di Pisa, F.,Landi, G.,Santarem, N.,Ferrari, S.,Saxena, P.,Lazzari, S.,Cannazza, G.,Freitas-Junior, L.H.,Moraes, C.B.,Pascoalino, B.S.,Alcantara, L.M.,Bertolacini, C.P.,Fontana, V.,Wittig, U.,Muller, W.,Wade, R.C.,Hunter, W.N.,Mangani, S.,Costantino, L.,Costi, M.P.; Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.; ACS Omega, 2:5666-5683, 2017; PubMed: 28983525; DOI: 10.1021/acsomega.7b00473

Experimental method

X-RAY DIFFRACTION (1.68 Å)