7C7H

Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2l

Summary for 7C7H

Entry DOI	10.2210/pdb7c7h/pdb
Descriptor	Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide, ... (4 entities in total)
Functional Keywords	cancer, oxidoreductase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	76204.19
Authors	Irie, K.,Toyooka, N.,Endo, S. (deposition date: 2020-05-25, release date: 2020-09-23, Last modification date: 2023-11-29)
Primary citation	Endo, S.,Oguri, H.,Segawa, J.,Kawai, M.,Hu, D.,Xia, S.,Okada, T.,Irie, K.,Fujii, S.,Gouda, H.,Iguchi, K.,Matsukawa, T.,Fujimoto, N.,Nakayama, T.,Toyooka, N.,Matsunaga, T.,Ikari, A. Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer. J.Med.Chem., 63:10396-10411, 2020 Cited by PubMed: 32847363 DOI: 10.1021/acs.jmedchem.0c00939 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.86 Å)

Structure validation