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Structure paper

TitleA Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 63, Page e202406846-e202406846, Year 2024
Publish dateSep 12, 2023 (structure data deposition date)
AuthorsMcCarthy, W.J. / Thomas, S.E. / Olaleye, T. / Boland, J.A. / Floto, R.A. / Williams, G. / Blundell, T.L. / Coyne, A.G. / Abell, C.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:38896426
MethodsX-ray diffraction
Resolution1.5149 - 1.73 Å
Structure data

PDB-8qid:
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-8qix:
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.579 Å

PDB-8qiy:
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5149 Å

PDB-8qj8:
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.538 Å

Chemicals

ChemComp-0IM:
1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-VJ7:
Unknown entry


ChemComp, No image

ChemComp-VCC:
Unknown entry


ChemComp, No image

ChemComp-VIW:
Unknown entry

Source
  • mycobacteroides abscessus (bacteria)
KeywordsTRANSFERASE / CoaD / PPAT / nucleotidyltransferase

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