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Structure paper

TitleGold-containing compounds target an apicomplexan Thioredoxin reductase: Disclosing reactivity through structural and functional characterization.
Journal, issue, pagesInt. J. Biol. Macromol., Vol. 369, Page 152627-152627, Year 2026
Publish dateJun 20, 2025 (structure data deposition date)
AuthorsGabriele, F. / Palerma, M. / Bogard, J. / Paluzzi, L. / Zineddu, S. / Geri, A. / Vitali, V. / Massai, L. / Ardini, M. / Bellelli, A. ...Gabriele, F. / Palerma, M. / Bogard, J. / Paluzzi, L. / Zineddu, S. / Geri, A. / Vitali, V. / Massai, L. / Ardini, M. / Bellelli, A. / Petukhov, P.A. / Ippoliti, R. / Messori, L. / Williams, D.L. / Angelucci, F.
External linksInt. J. Biol. Macromol. / PubMed:42162589
MethodsX-ray diffraction
Resolution2.15 - 3.28 Å
Structure data

PDB-9ro2:
Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with the Au(III) dithiocarbamato complex AuL12
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-9ro3:
Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with the auranofin analogue AuP(OCH3)3Cl
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-9rt8:
Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with Aurothiomalate
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-9rte:
Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with the dicarbene Au(I) complex Au(NHC)2PF6
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-9rtk:
Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with mono-carbene Au(I) complex Au(NHC)Cl
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-9s3h:
Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with Auranofin
Method: X-RAY DIFFRACTION / Resolution: 3.28 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-AU:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

Source
  • cryptosporidium parvum (eukaryote)
KeywordsFLAVOPROTEIN / reductase / Thioredoxin reductase

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