000462078 001__ 462078
000462078 005__ 20211222091240.0
000462078 0247_ $$2doi$$a10.1101/2020.11.24.396689
000462078 0247_ $$2datacite_doi$$a10.3204/PUBDB-2021-03253
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000462078 1001_ $$0P:(DE-H253)PIP1083581$$aPandey, Suraj$$b0
000462078 245__ $$aDirect Observation of the Mechanism of Antibiotic Resistance by Mix-and-Inject at the European XFEL
000462078 260__ $$bbiorXiv$$c2020
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000462078 500__ $$aPublished in Nature Methods as: "Pandey, S., Bean, R., Sato, T. et al. Time-resolved serial femtosecond crystallography at the European XFEL. Nat Methods 17, 73–78 (2020). https://doi.org/10.1038/s41592-019-0628-z"
000462078 520__ $$aIn this study, we follow the diffusion and buildup of occupancy of the substrate ceftriaxone in M. tuberculosis β-lactamase BlaC microcrystals by structural analysis of the enzyme substrate complex at single millisecond time resolution. We also show the binding and the reaction of an inhibitor, sulbactam, on a slower millisecond time scale. We use the ‘mix-and-inject’ technique to initiate these reactions by diffusion, and determine the resulting structures by serial crystallography using ultrafast, intense X-ray pulses from the European XFEL (EuXFEL) arriving at MHz repetition rates. Here, we show how to use the EuXFEL pulse structure to dramatically increase the size of the data set and thereby the quality and time resolution of “molecular movies” which unravel ligand binding and enzymatically catalyzed reactions. This shows the great potential for the EuXFEL as a tool for biomedically relevant research, particularly, as shown here, for investigating bacterial antibiotic resistance.
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000462078 536__ $$0G:(DE-H253)DFG-Leibniz-2015-Chapman$$aLeibniz Preis - Leibiz Programm 2015: Prof. Dr. Henry N. Chapman (DFG-Leibniz-2015-Chapman)$$cDFG-Leibniz-2015-Chapman$$x1
000462078 536__ $$0G:(EU-Grant)637295$$aX-probe - Advanced XFEL and Synchrotron based Probes of Protein Structure and Dynamics (637295)$$c637295$$fH2020-MSCA-ITN-2014$$x2
000462078 536__ $$0G:(EU-Grant)609920$$aAXSIS - Frontiers in Attosecond X-ray Science: Imaging and Spectroscopy (609920)$$c609920$$fERC-2013-SyG$$x3
000462078 588__ $$aDataset connected to CrossRef
000462078 693__ $$0EXP:(DE-H253)XFEL-Exp-20150101$$1EXP:(DE-H253)XFEL-20150101$$5EXP:(DE-H253)XFEL-Exp-20150101$$aXFEL$$eExperiments at XFEL$$x0
000462078 7001_ $$0P:(DE-H253)PIP1016993$$aBean, Richard$$b1
000462078 7001_ $$0P:(DE-H253)PIP1021842$$aSato, Tokushi$$b2
000462078 7001_ $$0P:(DE-H253)PIP1087452$$aPoudyal, Ishwor$$b3
000462078 7001_ $$0P:(DE-H253)PIP1020945$$aBielecki, Johan$$b4
000462078 7001_ $$aCruz Villarreal, Jorvani$$b5
000462078 7001_ $$0P:(DE-H253)PIP1006155$$aYefanov, Oleksandr$$b6
000462078 7001_ $$0P:(DE-H253)PIP1021498$$aMariani, Valerio$$b7
000462078 7001_ $$aWhite, Thomas A.$$b8
000462078 7001_ $$0P:(DE-H253)PIP1082513$$aKupitz, Christopher$$b9
000462078 7001_ $$0P:(DE-H253)PIP1009944$$aHunter, Mark$$b10
000462078 7001_ $$00000-0002-3194-7411$$aAbdellatif, Mohamed H.$$b11
000462078 7001_ $$0P:(DE-H253)PIP1006443$$aBajt, Saša$$b12
000462078 7001_ $$0P:(DE-H253)PIP1032576$$aBondar, Valerii$$b13
000462078 7001_ $$aEchelmeier, Austin$$b14
000462078 7001_ $$0P:(DE-H253)PIP1090035$$aDoppler, Diandra$$b15
000462078 7001_ $$0P:(DE-H253)PIP1021913$$aEmons, Moritz$$b16
000462078 7001_ $$aFrank, Matthias$$b17
000462078 7001_ $$aFromme, Raimund$$b18
000462078 7001_ $$aGevorkov, Yaroslav$$b19
000462078 7001_ $$aGiovanetti, Gabriele$$b20
000462078 7001_ $$0P:(DE-H253)PIP1086298$$aJiang, Man$$b21
000462078 7001_ $$0P:(DE-HGF)0$$aKim, Daihyun$$b22
000462078 7001_ $$0P:(DE-H253)PIP1080776$$aKim, Yoonhee$$b23
000462078 7001_ $$aKirkwood, Henry$$b24
000462078 7001_ $$0P:(DE-H253)PIP1033303$$aKlimovskaia, Anna$$b25
000462078 7001_ $$0P:(DE-H253)PIP1020244$$aKnoska, Juraj$$b26
000462078 7001_ $$0P:(DE-HGF)0$$aKoua, Faisal H. M.$$b27
000462078 7001_ $$aLetrun, Romain$$b28
000462078 7001_ $$0P:(DE-H253)PIP1085490$$aLisova, Stella$$b29
000462078 7001_ $$0P:(DE-H253)PIP1017202$$aMaia, Luis$$b30
000462078 7001_ $$aMazalova, Victoria$$b31
000462078 7001_ $$0P:(DE-H253)PIP1081982$$aMeza, Domingo$$b32
000462078 7001_ $$aMichelat, Thomas$$b33
000462078 7001_ $$aOurmazd, Abbas$$b34
000462078 7001_ $$0P:(DE-H253)PIP1018839$$aPalmer, Guido$$b35
000462078 7001_ $$0P:(DE-H253)PIP1082520$$aRamilli, Marco$$b36
000462078 7001_ $$aSchubert, Robin$$b37
000462078 7001_ $$0P:(DE-H253)PIP1081434$$aSchwander, Peter$$b38
000462078 7001_ $$0P:(DE-H253)PIP1012779$$aSilenzi, Alessandro$$b39
000462078 7001_ $$0P:(DE-H253)PIP1005470$$aSztuk-Dambietz, Jolanta$$b40
000462078 7001_ $$0P:(DE-H253)PIP1020246$$aTolstikova, Alexandra$$b41
000462078 7001_ $$0P:(DE-H253)PIP1006324$$aChapman, Henry N.$$b42
000462078 7001_ $$aRos, Alexandra$$b43
000462078 7001_ $$0P:(DE-H253)PIP1008245$$aBarty, Anton$$b44
000462078 7001_ $$0P:(DE-H253)PIP1023170$$aFromme, Petra$$b45
000462078 7001_ $$0P:(DE-H253)PIP1006340$$aMancuso, Adrian P.$$b46
000462078 7001_ $$0P:(DE-H253)PIP1081431$$aSchmidt, Marius$$b47$$eCorresponding author
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