6T98

Trypanothione Reductase from Leishmania infantum in complex with 9a

Summary for 6T98

Entry DOI	10.2210/pdb6t98/pdb
Related	6T95 6T97
Descriptor	Trypanothione reductase, 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine, SULFATE ION, ... (7 entities in total)
Functional Keywords	inhibitor, complex, oxidoreductase, leishmania, drug, flavoprotein
Biological source	Leishmania infantum
Total number of polymer chains	1
Total formula weight	55038.97
Authors	Carriles, A.A.,Hermoso, J.A. (deposition date: 2019-10-26, release date: 2020-11-18, Last modification date: 2024-02-07)
Primary citation	de Lucio, H.,Revuelto, A.,Carriles, A.A.,de Castro, S.,Garcia-Gonzalez, S.,Garcia-Soriano, J.C.,Alcon-Calderon, M.,Sanchez-Murcia, P.A.,Hermoso, J.A.,Gago, F.,Camarasa, M.J.,Jimenez-Ruiz, A.,Velazquez, S. Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity. Eur.J.Med.Chem., 244:114878-114878, 2022 Cited by PubMed: 36332553 DOI: 10.1016/j.ejmech.2022.114878 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3 Å)

Structure validation