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Structure paper

TitleSmall-molecule binding and sensing with a designed protein family
Journal, issue, pagesTo Be Published
Publish dateDec 20, 2023 (structure data deposition date)
AuthorsLee, G.R. / Bera, A.K. / Baker, D.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.1 - 2.15 Å
Structure data

PDB-8vez:
De novo design apixaban-binding protein: apx1049
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-8vfq:
De novo design apixaban-binding protein: apx1049
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-GG2:
1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE / medication, anticoagulant*YM

ChemComp-HOH:
WATER

Source
  • synthetic construct (others)
KeywordsDE NOVO PROTEIN / protein design / deep learning / small-molecule-binding / de novo design / apixaban

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