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As$^{\textrm{III}}$ Selectively Induces a Disorder-to-Order Transition in the Metalloid Binding Region of the AfArsR Protein
/ Tóth, Annamária ; Sajdik, Kadosa ; Gyurcsik, Béla ; Nafaee, Zeyad H ; Wéber, Edit ; Kele, Zoltan ; Christensen, Niels Johan ; Schell, Juliana (CERN) ; Correia, Joao Guilherme (CERN) ; Clauss, Kajsa G V Sigfridsson et al.
Arsenic is highly toxic and a significant threat to human health, but certain bacteria have developed defense mechanisms initiated by AsIII binding to AsIII-sensing proteins of the ArsR family. The transcriptional regulator AfArsR responds to AsIII and SbIII by coordinating the metalloids with three cysteines, located in a short sequence of the same monomer chain. [...]
2024 - 14 p.
- Published in : J. Am. Chem. Soc. 146 (2024) 17009-17022
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Revisiting the hydrolysis of ampicillin catalyzed byTemoneira-1β-lactamase, and the effect of Ni(II), Cd(II)and Hg(II)
/ Nafaee, Zeyad H (Szeged U. ; Unlisted, IQ) ; Egyed, Viktoria (Szeged U.) ; Jancso, Attila (Szeged U.) ; Toth, Annamaria (Szeged U.) ; Gerami, Adeleh Mokhles (IPM, Tehran ; CERN) ; Dang, Thanh Thien (Duisburg-Essen U.) ; Heiniger-Schell, Juliana (CERN ; Duisburg-Essen U.) ; Hemmingsen, Lars (Bohr Inst.) ; Hunyadi-Gulyas, Eva (Budapest, RMKI) ; Peintler, Gabor (Szeged U.) et al.
β-Lactamases grant resistance to bacteria against β-lactam antibiotics. The active center of TEM-1 β-lactamase accommodates a Ser-Xaa-Xaa-Lys motif. [...]
2023 - 20 p.
- Published in : Protein Sci. 32 (2023) e4809
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Towards in vivo applications of 111Ag perturbed angular correlation of γ-rays (PAC) spectroscopy
/ Tosato, Marianna (U. Padua (main)) ; Asti, Mattia ; Di Marco, Valerio (U. Padua (main)) ; Jensen, Marianne L (Bohr Inst.) ; Schell, Juliana (CERN ; U. Duisburg-Essen) ; Dang, Thien Thanh (U. Duisburg-Essen) ; Köster, Ulli (Laue-Langevin Inst.) ; Jensen, Mikael (Denmark, Tech. U.) ; Hemmingsen, Lars (U. Copenhagen (main))
$^{111}$Ag-perturbed angular correlation of γ-rays (PAC) spectroscopy provides information on the nuclear quadrupole interactions, and thereby on the local structure and dynamics of the silver ion binding site. Brownian rotational motion, i.e. [...]
2022 - 8 p.
- Published in : Appl. Radiat. Isot. 190 (2022) 110508
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Free Molecule Studies by Perturbed $\gamma - \gamma$ Angular Correlation: A New Path to Accurate Nuclear Quadrupole Moments
/ Haas, Heinz (CERN ; U. Aveiro (main)) ; Röder, Jens (CERN ; U. Aveiro (main)) ; Correia, Joao G (CERN ; IST, Lisbon (main)) ; Schell, J (CERN ; U. Duisburg-Essen) ; Fenta, Abel S (U. Aveiro (main)) ; Vianden, Reiner (Bonn U., HISKP) ; Larsen, Emil M H (U. Copenhagen (main)) ; Aggelund, Patrick A (U. Copenhagen (main)) ; Fromsejer, Rasmus (U. Copenhagen (main)) ; Hemmingsen, Lars B S (U. Copenhagen (main)) et al.
Accurate nuclear quadrupole moment values are essential as benchmarks for nuclear structure models
and for the interpretation of experimentally determined nuclear quadrupole interactions in terms of
electronic and molecular structure. Here, we present a novel route to such data by combining perturbed γ-γ
angular correlation measurements on free small linear molecules, realized for the first time within this
work, with state-of-the-art ab initio electronic structure calculations of the electric field gradient at the
probe site. [...]
2021 - 6 p.
- Published in : Phys. Rev. Lett. 126 (2021) 103001
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C‐terminal Cysteines of CueR Act as Auxiliary Metal Site Ligands upon Hg$^{II}$ Binding—A Mechanism To Prevent Transcriptional Activation by Divalent Metal Ions?
/ Balogh, Ria K (Szeged U.) ; Gyurcsik, Béla (Szeged U.) ; Hunyadi‐Gulyás, Éva (Szeged U., Cybernetics Lab) ; Schell, Juliana (CERN ; Duisburg-Essen U.) ; Thulstrup, Peter W (Copenhagen U.) ; Hemmingsen, Lars (Copenhagen U.) ; Jancsó, Attila (Szeged U.)
Intracellular CuI is controlled by the transcriptional regulator CueR, which effectively discriminates between monovalent and divalent metal ions. It is intriguing that HgII does not activate transcription, as bis-thiolate metal sites exhibit high affinity for HgII. [...]
2019 - 6 p.
- Published in : Chemistry – A European Journal 25 (2019) 15030-15035
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A reference compound for $^{199m}$ Hg perturbed angular correlation of $\gamma$ -rays spectroscopy
/ Jancsó, Attila (Szeged U.) ; Correia, Joao G (Lisbon, IST ; CERN) ; Balogh, Ria K (Szeged U.) ; Schell, Juliana (Duisburg-Essen U. ; CERN) ; Jensen, Marianne L (Bohr Inst.) ; Szunyogh, Daniel (Copenhagen U.) ; Thulstrup, Peter W (Copenhagen U.) ; Hemmingsen, Lars (Copenhagen U.)
$^{199m}$ Hg is a very useful probe for perturbed angular correlation of $\gamma$ -rays (PAC) spectroscopy. Here we present $^{199m}$ Hg PAC data for a Hg $^{2+}$ containing compound, Hg(Cys)$_{2}$(s), giving one unique nuclear quadrupole interaction (NQI). [...]
2021
- Published in : Nucl. Instrum. Methods Phys. Res., A 1002 (2021) 165154
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Direct Observation of Nanosecond Water Exchange Dynamics at a Protein Metal Site
/ Stachura, Monika (Copenhagen U.) ; Chakraborty, Saumen (Michigan State U., Dept. Chem.) ; Gottberg, Alexander (CERN) ; Ruckthong, Leela (Michigan State U., Dept. Chem.) ; Pecoraro, Vincent L (Michigan State U., Dept. Chem.) ; Hemmingsen, Lars (Copenhagen U.)
Nanosecond ligand exchange dynamics at metal sites within proteins is essential in catalysis, metal ion transport, and regulatory metallobiochemistry. Herein we present direct observation of the exchange dynamics of water at a $Cd^{2+}$ binding site within two de novo designed metalloprotein constructs using $^{111m}$Cd perturbed angular correlation (PAC) of γ-rays and $^{113}$Cd NMR spectroscopy. [...]
2017 - 4 p.
- Published in : J. Am. Chem. Soc. 139 (2017) 79-82
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9.
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TDPAC and β-NMR applications in chemistry and biochemistry
/ Jancso, Attila (Szeged U.) ; Correia, Joao G (CERN ; IST/ITN, Lisbon) ; Gottberg, Alexander (TRIUMF) ; Schell, Juliana (CERN ; Duisburg-Essen U.) ; Stachura, Monika (TRIUMF) ; Szunyogh, D (Szeged U. ; Copenhagen U.) ; Pallada, Stavroula (CERN ; Bohr Inst. ; Democritus U., Thrace) ; Lupascu, Doru C (Duisburg-Essen U.) ; Kowalska, Magdalena (CERN) ; Hemmingsen, Lars (Bohr Inst.)
Time differential perturbed angular correlation (TDPAC) of γ-rays spectroscopy has been applied in chemistry and biochemistry for decades. Herein we aim to present a comprehensive review of chemical and biochemical applications of TDPAC spectroscopy conducted at ISOLDE over the past 15 years, including elucidation of metal site structure and dynamics in proteins and model systems. [...]
2017 - 25 p.
- Published in : J. Phys. G 44 (2017) 064003
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10.
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Specificity of the Metalloregulator CueR for Monovalent Metal Ions: Possible Functional Role of a Coordinated Thiol?
/ Szunyogh, Dániel (MTA‐SZTE Bioinorganic Chemistry Research Group, Hungary) ; Szokolai, Hajnalka (Szeged U.) ; Thulstrup, Peter W (Copenhagen U.) ; Larsen, Flemming H (Copenhagen U.) ; Gyurcsik, Béla (Szeged U.) ; Christensen, Niels Johan (Copenhagen U.) ; Stachura, Monika (CERN ; TRIUMF) ; Hemmingsen, Lars (Copenhagen U.) ; Jancsó, Attila (Szeged U.)
Metal-ion-responsive transcriptional regulators within the MerR family effectively discriminate between mono- and divalent metal ions.Herein we address the origin of the specificity of the CueR protein for monovalent metal ions.Several spectroscopic techniques were employed to study $Ag^I$ ,$Zn^{II}$ ,and $Hg^{II}$ binding to model systems encompassing the metal-ion-binding loop of CueR from E. coli and V. [...]
2015 - 6 p.
- Published in : Angew. Chem. Int. Ed. 54 (2015) 15756-15761
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