5OUJ
Crystal structure of human AKR1B1 complexed with NADP+ and compound 39
Summary for 5OUJ
Entry DOI | 10.2210/pdb5ouj/pdb |
Related | 4IGS 5OU0 5OUK |
Descriptor | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, ... (4 entities in total) |
Functional Keywords | alpha-beta tim barrel, cytosol, aldo-keto reductase, pyrimido[4, 5-c]quinolone-2-acetic acid scaffold, oxidoreductase |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm: P15121 |
Total number of polymer chains | 1 |
Total formula weight | 37041.55 |
Authors | Cousido-Siah, A.,Ruiz, F.X.,Mitschler, A.,Metwally, K.,Podjarny, A. (deposition date: 2017-08-24, release date: 2018-05-09, Last modification date: 2024-01-17) |
Primary citation | Crespo, I.,Gimenez-Dejoz, J.,Porte, S.,Cousido-Siah, A.,Mitschler, A.,Podjarny, A.,Pratsinis, H.,Kletsas, D.,Pares, X.,Ruiz, F.X.,Metwally, K.,Farres, J. Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem, 152:160-174, 2018 Cited by PubMed: 29705708DOI: 10.1016/j.ejmech.2018.04.015 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (0.96 Å) |
Structure validation
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