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Structure paper

TitleThe study of halogen effect on the reactivity of the serine-targeting covalent warheads.
Journal, issue, pagesFront Chem, Vol. 12, Page 1504453-1504453, Year 2024
Publish dateDec 6, 2024 (structure data deposition date)
AuthorsGai, C. / Zhang, Y. / Zhang, S. / Hu, X. / Song, Y.Q. / Zhuang, X. / Chai, X. / Zou, Y. / Ge, G.B. / Zhao, Q.
External linksFront Chem / PubMed:39691824
MethodsX-ray diffraction
Resolution1.83 - 1.89 Å
Structure data

PDB-9kwl:
hCES1A contently binding with compound F-3 at the catalytic pocket.
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-9kwm:
hCES1A contently binding with compound F-4 at the catalytic pocket.
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

Chemicals

PDB-1eiy:
THE CRYSTAL STRUCTURE OF PHENYLALANYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH COGNATE TRNAPHE

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

PDB-1eiz:
FTSJ RNA METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLMETHIONINE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / hCES1A / Covalent / Inhibitors / SBDD

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