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TitleThe bactericidal FabI inhibitor Debio 1453 clears antibiotic-resistant Neisseria gonorrhoeae infection in vivo.
Journal, issue, pagesNat Commun, Vol. 16, Page 8309-8309, Year 2025
Publish dateJul 30, 2025 (structure data deposition date)
AuthorsGerusz, V. / Regenass, P. / Rousseau, Q. / Moraine, V. / Dao, J. / Lave, X. / Das, S. / Hue Perron, J. / Fajas Descamps, L. / Bravo, J. ...Gerusz, V. / Regenass, P. / Rousseau, Q. / Moraine, V. / Dao, J. / Lave, X. / Das, S. / Hue Perron, J. / Fajas Descamps, L. / Bravo, J. / Dieppois, G. / Kaplan, N. / Lefebre, M. / Altomari, D. / Romanov, V. / Finn, T. / Daram, P. / Bernardini, F. / Gross, M. / Lysek, R. / Adam, A. / Pohin, D. / Maio, M. / Tatsis, V. / Sunose, M. / Ronin, C. / Ciesielski, F. / Ahlstrand, J. / Jacobsson, S. / Unemo, M. / Cameron, D.R.
External linksNat Commun / PubMed:40968127
MethodsX-ray diffraction
Resolution1.34 Å
Structure data

PDB-9s5x:
Crystal structure of Neisseria gonorrhoeae FabI in complex with NADH and (E)-3-((2R,3S)-3-hydroxy-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
Method: X-RAY DIFFRACTION / Resolution: 1.34 Å

Chemicals

PDB-1h1h:
Crystal Structure of Eosinophil Cationic Protein in Complex with 2',5'-ADP at 2.0 A resolution Reveals the Details of the Ribonucleolytic Active site

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-HOH:
WATER

Source
  • neisseria gonorrhoeae (bacteria)
KeywordsOXIDOREDUCTASE / Enoyl-[acyl-carrier-protein] reductase [NADH] Neisseria gonorrhoeae / HYDROLASE

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