8RB6

Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A

Summary for 8RB6

Entry DOI	10.2210/pdb8rb6/pdb
Descriptor	Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, ... (5 entities in total)
Functional Keywords	aldo-keto reductase, akr1c3, inhibitor, oxidoreductase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	76060.06
Authors	Frydenvang, K.,Mirza, O.A. (deposition date: 2023-12-03, release date: 2024-03-06)
Primary citation	Pippione, A.C.,Kovachka, S.,Vigato, C.,Bertarini, L.,Mannella, I.,Sainas, S.,Rolando, B.,Denasio, E.,Piercy-Mycock, H.,Romalho, L.,Salladini, E.,Adinolfi, S.,Zonari, D.,Peraldo-Neia, C.,Chiorino, G.,Passoni, A.,Mirza, O.A.,Frydenvang, K.,Pors, K.,Lolli, M.L.,Spyrakis, F.,Oliaro-Bosso, S.,Boschi, D. Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer. Eur.J.Med.Chem., 268:116193-116193, 2024 Cited by PubMed: 38364714 DOI: 10.1016/j.ejmech.2024.116193 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation