7X3L

Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044

Summary for 7X3L

• Entry DOI: 10.2210/pdb7x3l/pdb
• Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, ... (4 entities in total)
• Functional Keywords: oxidoreductase, lipid metabolism, nad, nadp
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 77637.66

Authors

Jiang, J.,Liu, Y.,He, S.,Chen, Y.,Chu, X.,Liu, Y.,Guo, Q.,Zhao, L.,Feng, F.,Liu, W.,Zhang, X.,Fang, P.,Sun, H. (deposition date: 2022-03-01, release date: 2023-03-08, Last modification date: 2023-11-29)

• 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; PubMed: 37409679; DOI: 10.1021/acs.jmedchem.3c00213

Experimental method

X-RAY DIFFRACTION (1.86 Å)