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Structure paper

TitleStructure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 96, Page 117509-117509, Year 2023
Publish dateMar 10, 2022 (structure data deposition date)
AuthorsBecker, R. / Pederick, J.L. / Dawes, E.G. / Bruning, J.B. / Abell, A.D.
External linksBioorg. Med. Chem. / PubMed:37948922
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-7u9k:
Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-K:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

ChemComp-HOH:
WATER

Source
  • staphylococcus aureus subsp. aureus nctc 8325 (bacteria)
KeywordsLIGASE / ATP-grasp / nucleotide binding / metal binding

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