8A1R
cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor
Summary for 8A1R
Entry DOI | 10.2210/pdb8a1r/pdb |
EMDB information | 15084 |
Descriptor | Thioredoxin glutathione reductase, FLAVIN-ADENINE DINUCLEOTIDE, (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol (3 entities in total) |
Functional Keywords | inhibitor, complex, flavoreductase, flavoprotein |
Biological source | Schistosoma mansoni |
Total number of polymer chains | 2 |
Total formula weight | 132522.47 |
Authors | Ardini, M.,Angelucci, F.,Fata, F.,Gabriele, F.,Effantin, G.,Ling, W.,Williams, D.L.,Petukhova, V.Z.,Petukhov, P.A. (deposition date: 2022-06-01, release date: 2023-06-14, Last modification date: 2023-07-05) |
Primary citation | Petukhova, V.Z.,Aboagye, S.Y.,Ardini, M.,Lullo, R.P.,Fata, F.,Byrne, M.E.,Gabriele, F.,Martin, L.M.,Harding, L.N.M.,Gone, V.,Dangi, B.,Lantvit, D.D.,Nikolic, D.,Ippoliti, R.,Effantin, G.,Ling, W.L.,Johnson, J.J.,Thatcher, G.R.J.,Angelucci, F.,Williams, D.L.,Petukhov, P.A. Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo. Nat Commun, 14:3737-3737, 2023 Cited by PubMed: 37349300DOI: 10.1038/s41467-023-39444-y PDB entries with the same primary citation |
Experimental method | ELECTRON MICROSCOPY (3.6 Å) |
Structure validation
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