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Structure paper

TitleMolecular mechanism of transition-state inhibitors of bacterial antibiotic efflux pumps
Journal, issue, pagesTo Be Published
Publish dateNov 4, 2024 (structure data deposition date)
AuthorsBoernsen, C. / Mueller, R.T. / Pos, K.M.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.94 Å
Structure data

PDB-9hao:
BDM91531 inhibitor bound to the transmembrane domain of AcrB
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-LMT:
DODECYL-BETA-D-MALTOSIDE / detergent*YM

ChemComp-OCT:
N-OCTANE

ChemComp-C14:
TETRADECANE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-D12:
DODECANE

ChemComp-HEX:
HEXANE


ChemComp, No image

ChemComp-XE9:
Unknown entry

ChemComp-D10:
DECANE

ChemComp-DDR:
(2S)-3-hydroxypropane-1,2-diyl didecanoate

ChemComp-DDQ:
DECYLAMINE-N,N-DIMETHYL-N-OXIDE

ChemComp-SO4:
SULFATE ION

ChemComp-LPX:
(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate

ChemComp-HOH:
WATER

Source
  • escherichia coli k-12 (bacteria)
  • synthetic construct (others)
KeywordsTRANSPORT PROTEIN / RND multidrug efflux pump / antimicrobial resistance / allosteric inhibitor / intermediate conformational state

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