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Structure paper

TitleFrom Hydrogel to Crystal: A Molecular Design Strategy that Chemically Modifies Racemic Gel-Forming Peptides to Furnish Crystalline Fibrils Stabilized by Parallel Rippled beta-Sheets.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 147, Page 14377-14387, Year 2025
Publish dateSep 20, 2024 (structure data deposition date)
AuthorsSamdin, T.D. / Lubkowski, J. / Anderson, C.F. / Schneider, J.P.
External linksJ. Am. Chem. Soc. / PubMed:40252045
MethodsX-ray diffraction
Resolution1.92 - 2.25 Å
Structure data

PDB-9dox:
Fibrillar assembly of an L-enantiopure, C-alpha methylated, macrocyclic beta-hairpin
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-9doy:
Fibrillar assembly of an D-enantiopure, C-alpha methylated, macrocyclic beta-hairpin
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-9dp0:
Fibrillar assembly of racemic, C-alpha methylated, macrocyclic beta-hairpins
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-I3C:
5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid

ChemComp-HOH:
WATER

ChemComp-FLC:
CITRATE ANION

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

Source
  • synthetic construct (others)
KeywordsPROTEIN FIBRIL / MAX1 / fibril / hydrogel / C-alpha methylated macrocyclic beta-hairpin

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