4NEW

Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE)

Summary for 4NEW

• Entry DOI: 10.2210/pdb4new/pdb
• Related: 4NEV
• Descriptor: Trypanothione reductase, putative, FLAVIN-ADENINE DINUCLEOTIDE, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole (3 entities in total)
• Functional Keywords: reductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Trypanosoma cruzi
• Total number of polymer chains: 1
• Total formula weight: 55072.76

Authors

Persch, E.,Bryson, S.,Pai, E.F.,Krauth-Siegel, R.L.,Diederich, F. (deposition date: 2013-10-30, release date: 2014-05-14, Last modification date: 2023-09-20)

• Primary citation: Persch, E.,Bryson, S.,Todoroff, N.K.,Eberle, C.,Thelemann, J.,Dirdjaja, N.,Kaiser, M.,Weber, M.,Derbani, H.,Brun, R.,Schneider, G.,Pai, E.F.,Krauth-Siegel, R.L.,Diederich, F.; Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.; Chemmedchem, 9:1880-1891, 2014; PubMed: 24788386; DOI: 10.1002/cmdc.201402032

Experimental method

X-RAY DIFFRACTION (2.8 Å)