5OU0

Crystal structure of human AKR1B1 complexed with NADP+ and compound 37

Summary for 5OU0

Entry DOI	10.2210/pdb5ou0/pdb
Related	4IGS 5OUJ 5OUK
Descriptor	Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-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	37021.54
Authors	Cousido-Siah, A.,Ruiz, F.X.,Mitschler, A.,Metwally, K.,Podjarny, A. (deposition date: 2017-08-23, 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: 29705708 DOI: 10.1016/j.ejmech.2018.04.015 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (0.94 Å)

Structure validation