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Structure paper

TitleA Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 62, Page e202304533-e202304533, Year 2023
Publish dateMar 8, 2023 (structure data deposition date)
AuthorsDienemann, J.N. / Chen, S.Y. / Hitzenberger, M. / Sievert, M.L. / Hacker, S.M. / Prigge, S.T. / Zacharias, M. / Groll, M. / Sieber, S.A.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:37249408
MethodsX-ray diffraction
Resolution2.1 - 2.6 Å
Structure data

PDB-8cri:
Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes)
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8crj:
Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes)
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-8crl:
Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes)
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-LPA:
LIPOIC ACID

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-LAQ:
5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-VK9:
~{N}-[3-[2-(6-aminopurin-9-yl)ethanoylamino]propyl]-5-[(3~{R})-1,2-dithiolan-3-yl]pentanamide

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

Source
  • listeria monocytogenes (bacteria)
KeywordsLIGASE / LIPOATE / SALVAGE / ANTI-INFECTIVES / DRUG DEVELOPMENT / INHIBITOR

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