9FFD

STRUCTURE OF ALDO-KETO REDUCTASE 1C3 (AKR1C3) IN COMPLEX WITH AN INHIBITOR MEDS765

This is a non-PDB format compatible entry.

Summary for 9FFD

• Entry DOI: 10.2210/pdb9ffd/pdb
• Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]amino]ethanamide, ... (6 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: 76799.56

Authors

Frydenvang, K.,Hussain, S.,Mirza, O.A. (deposition date: 2024-05-23, release date: 2024-08-21, Last modification date: 2024-08-28)

• Primary citation: Pippione, A.C.,Vigato, C.,Tucciarello, C.,Hussain, S.,Salladini, E.,Truong, H.H.,Henriksen, N.M.,Vanzetti, G.,Giordano, G.,Zonari, D.,Mirza, O.A.,Frydenvang, K.,Pignochino, Y.,Oliaro-Bosso, S.,Boschi, D.,Lolli, M.L.; AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer Applications.; Acs Med.Chem.Lett., 15:1269-1278, 2024; PubMed: 39140045; DOI: 10.1021/acsmedchemlett.4c00150

Experimental method

X-RAY DIFFRACTION (1.75 Å)