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TitleCombining MicroED and native mass spectrometry for structural discovery of enzyme-small molecules complexes
Journal, issue, pagesTo Be Published
Publish dateMay 22, 2025 (structure data deposition date)
AuthorsVlahakis, N.W. / Flowers, C.W. / Liu, M. / Agdanowski, M. / Johnson, S. / Summers, J.A. / Jacobs, L.M.C. / Keyser, C. / Russell, P. / Rose, S. ...Vlahakis, N.W. / Flowers, C.W. / Liu, M. / Agdanowski, M. / Johnson, S. / Summers, J.A. / Jacobs, L.M.C. / Keyser, C. / Russell, P. / Rose, S. / Orlans, J. / Adhami, N. / Chen, Y. / Sawaya, M.R. / Basu, S. / De Sanctis, D. / Wakatsuki, S. / Nelson, H.M. / Loo, J.A. / Tang, Y. / Rodriguez, J.A.
External linksSearch PubMed
MethodsEM (electron crystallography)
Resolution2 Å
Structure data

PDB-9orh:
MicroED structure of the CTX-M-14 beta-lactamase-avibactam complex from inhibitor cocktail-soaked crystals
Method: ELECTRON CRYSTALLOGRAPHY / Resolution: 2 Å

Chemicals

ChemComp-NXL:
(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide / antibiotic, inhibitor*YM

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
KeywordsHYDROLASE / enzyme / beta-lactamase / MicroED / inhibitor / complex / cocktail

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