6OEZ

Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine

Summary for 6OEZ

Entry DOI	10.2210/pdb6oez/pdb
Descriptor	Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (5 entities in total)
Functional Keywords	trypanosoma, trypanothione, inhibitor, sleeping sickness, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Total number of polymer chains	2
Total formula weight	110155.29
Authors	Halgas, O.,De Gasparo, R.,Harangozo, D.,Krauth-Siegel, R.L.,Diederich, F.,Pai, E.F. (deposition date: 2019-03-28, release date: 2019-07-31, Last modification date: 2023-10-11)
Primary citation	De Gasparo, R.,Halgas, O.,Harangozo, D.,Kaiser, M.,Pai, E.F.,Krauth-Siegel, R.L.,Diederich, F. Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25:11416-11421, 2019 Cited by PubMed: 31407832 DOI: 10.1002/chem.201901664 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation