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Structure paper

TitleDiscovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Journal, issue, pagesSci Rep, Vol. 9, Page 15450-15450, Year 2019
Publish dateSep 20, 2019 (structure data deposition date)
AuthorsKroeck, K.G. / Sacco, M.D. / Smith, E.W. / Zhang, X. / Shoun, D. / Akhtar, A. / Darch, S.E. / Cohen, F. / Andrews, L.D. / Knox, J.E. / Chen, Y.
External linksSci Rep / PubMed:31664082
MethodsX-ray diffraction
Resolution1.55 - 2.6 Å
Structure data

PDB-6uec:
Pseudomonas aeruginosa LpxD Complex Structure with Ligand
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-6ued:
Apo Pseudomonas aeruginosa LpxD Structure
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-6uee:
Pseudomonas aeruginosa LpxA Complex Structure with Ligand
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-6ueg:
Pseudomonas aeruginosa LpxA Complex Structure with Ligand
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-Q5M:
4-(naphthalen-1-yl)-4-oxobutanoic acid

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-Q5G:
3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid

ChemComp-CA:
Unknown entry

Source
  • pseudomonas aeruginosa (strain atcc 15692 / dsm 22644 / cip 104116 / jcm 14847 / lmg 12228 / 1c / prs 101 / pao1) (bacteria)
  • pseudomonas aeruginosa (strain pa7) (bacteria)
KeywordsTRANSFERASE / LpxD / Ligand Complex / Trimer / Acyl Transferase / Apo / LpxA

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