4QX4

Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A

Summary for 4QX4

Entry DOI	10.2210/pdb4qx4/pdb
Related	1US0
Descriptor	Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid, ... (4 entities in total)
Functional Keywords	tim barrel, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P15121
Total number of polymer chains	1
Total formula weight	37162.29
Authors	Rechlin, C.,Heine, A.,Klebe, G. (deposition date: 2014-07-18, release date: 2015-04-01, Last modification date: 2023-09-20)
Primary citation	Stefek, M.,Soltesova Prnova, M.,Majekova, M.,Rechlin, C.,Heine, A.,Klebe, G. Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold. J.Med.Chem., 58:2649-2657, 2015 Cited by PubMed: 25695864 DOI: 10.1021/jm5015814 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.259 Å)

Structure validation