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: 25695864DOI: 10.1021/jm5015814 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.259 Å) |
Structure validation
Download full validation report