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Structure paper

TitleCustomizing the structure of minimal TIM barrels to craft efficient de novo enzymes.
Journal, issue, pagesNat. Chem. Biol., Year 2026
Publish dateMar 20, 2025 (structure data deposition date)
AuthorsBeck, J. / Smith, B.J. / Kriegel, M. / Zarifi, N. / Freund, E. / Harsha, A.G. / Hartmann, J. / Chica, R.A. / Hocker, B.
External linksNat. Chem. Biol. / PubMed:42297966
MethodsX-ray diffraction
Resolution1.2 - 2.3 Å
Structure data

PDB-9qkx:
De novo TIM barrel with Kemp eliminase activity - KempTIM4
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-9tzd:
De novo TIM barrel with Kemp eliminase activity - KempTIM1 with bound transition state analogue
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-9u01:
De novo TIM barrel with Kemp eliminase activity - KempTIM1 (apo)
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-6NT:
6-NITROBENZOTRIAZOLE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / precipitant*YM

Source
  • synthetic construct (others)
KeywordsDE NOVO PROTEIN / Kemp Eliminase / de novo / TIM barrel

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