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 Cited by PubMed: 39140045DOI: 10.1021/acsmedchemlett.4c00150 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.75 Å) |
Structure validation
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