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TitleNovel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 79, Page 857-865, Year 2023
Publish dateJan 27, 2023 (structure data deposition date)
AuthorsFusser, F.T. / Wollenhaupt, J. / Weiss, M.S. / Kummel, D. / Koch, O.
External linksActa Crystallogr D Struct Biol / PubMed:37574972
MethodsX-ray diffraction
Resolution1.56 Å
Structure data

PDB-8cci:
Crystal structure of Mycobacterium smegmatis thioredoxin reductase
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

Chemicals

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

ChemComp-GOL:
GLYCEROL

ChemComp-MLI:
MALONATE ION

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • mycolicibacterium smegmatis mc2 155 (bacteria)
KeywordsOXIDOREDUCTASE / TrxR

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