8I0C

Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703

Summary for 8I0C

Entry DOI	10.2210/pdb8i0c/pdb
Descriptor	Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, ... (4 entities in total)
Functional Keywords	lipid metabolism, nad, nadp, oxidoreductase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	77607.36
Authors	Jiang, J.,He, S.,Liu, Y.,Fang, P.,Sun, H. (deposition date: 2023-01-10, release date: 2023-09-20)
Primary citation	He, S.,Chu, X.,Wu, Y.,Jiang, J.,Fang, P.,Chen, Y.,Liu, Y.,Qiu, Z.,Xiao, Y.,Li, Z.,Pan, D.,Zhang, Q.,Xie, H.,Xing, S.,Feng, F.,Liu, W.,Guo, Q.,Zhao, L.,Yang, P.,Sun, H. Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66:9537-9560, 2023 Cited by PubMed: 37409679 DOI: 10.1021/acs.jmedchem.3c00213 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.33 Å)

Structure validation