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2023

  • [DOI] L. Dabos, J. Raczynska, P. Bogaerts, A. Zavala, D. Girlich, R. Bonnin, L. Dortet, A. Peyrat, P. Retailleau, B. Iorga, M. Jaskólski, Y. Glupczynski, and T. Naas, “Structural and biochemical features of oxa-517: a carbapenem and expanded-spectrum cephalosporin hydrolyzing oxa-48 variant,” Antimicrobial agents and chemotherapy, 2023.
    [Bibtex] 
    @article{Dabos2023,
doi = {10.1128/aac.01095-22},
url = {https://doi.org/10.1128%2Faac.01095-22},
year = {2023},
month = {jan},
publisher = {American Society for Microbiology},
title = {Structural and Biochemical Features of OXA-517: a Carbapenem and Expanded-Spectrum Cephalosporin Hydrolyzing OXA-48 Variant},
journal = {Antimicrobial Agents and Chemotherapy},
tags = {D4,D5,EQ31,EQ77},
author = {Laura Dabos and Joanna Raczynska and Pierre Bogaerts and Agustin Zavala and Delphine Girlich and Remy Bonnin and Laurent Dortet and Aurélie Peyrat and Pascal Retailleau and Bogdan Iorga and Mariusz Jaskólski and Youri Glupczynski and Thierry Naas},
time_added = {1675299606},
}

2022

  • [DOI] M{\u{a}}d{\u. a}, A. Muntean, F. Guerin, V. Cattoir, E. Creton, G. Cotellon, S. Oueslati, M. Popa, D. Girlich, B. Iorga, R. Bonnin, and T. Naas, “Optimization of the rapid carbapenem inactivation method for use with AmpC hyperproducers—authors’ response,” Journal of antimicrobial chemotherapy, 2022.
    [Bibtex] 
    @article{Muntean2022,
doi = {10.1093/jac/dkac058},
url = {https://doi.org/10.1093%2Fjac%2Fdkac058},
year = {2022},
month = {feb},
publisher = {Oxford University Press ({OUP})},
title = {Optimization of the rapid carbapenem inactivation method for use with {AmpC} hyperproducers{\textemdash}authors' response},
journal = {Journal of Antimicrobial Chemotherapy},
tags = {D4,EQ77},
author = {M{\u{a}}d{\u{a}}lina Muntean and Andrei-Alexandru Muntean and Fran{\c{c}}ois Guerin and Vincent Cattoir and Elodie Creton and Garance Cotellon and Saoussen Oueslati and Mircea Popa and Delphine Girlich and Bogdan Iorga and R{\'{e}}my Bonnin and Thierry Naas},
time_added = {1646355606},
}
  • [DOI] W. Ma, E. Montinho-Inacio, B. Iorga, P. Retailleau, X. Moreau, L. Neuville, and G. Masson, “Chiral phosphoric acid-catalyzed enantioselective formal [4+2] cycloaddition between dienecarbamates and 2-benzothioazolimines,” Advanced synthesis & catalysis, vol. 364, iss. 10, pp. 1708-1715, 2022.
    [Bibtex] 
    @article{Ma2022,
doi = {10.1002/adsc.202200161},
url = {https://doi.org/10.1002%2Fadsc.202200161},
year = {2022},
month = {apr},
publisher = {Wiley},
title = {Chiral Phosphoric Acid-Catalyzed Enantioselective Formal [4+2] Cycloaddition Between Dienecarbamates and 2-Benzothioazolimines},
journal = {Advanced Synthesis & Catalysis},
tags = {D2,D4,D5,EQ31,EQ5,EQ51,EQ77},
author = {Wei-Yang Ma and Emeric Montinho-Inacio and Bogdan Iorga and Pascal Retailleau and Xavier Moreau and Luc Neuville and G{\'{e}}raldine Masson},
time_added = {1651881608},
citationkey = {Ma2022},
volume = {364},
number = {10},
pages = {1708-1715},
}
  • [DOI] A. Philippon, G. Arlet, R. Labia, and B. Iorga, “Class c β-lactamases: molecular characteristics,” Clinical microbiology reviews, 2022.
    [Bibtex] 
    @article{Philippon2022,
doi = {10.1128/cmr.00150-21},
url = {https://doi.org/10.1128%2Fcmr.00150-21},
year = {2022},
month = {apr},
publisher = {American Society for Microbiology},
title = {Class C β-Lactamases: Molecular Characteristics},
journal = {Clinical Microbiology Reviews},
tags = {D4,EQ77},
author = {Alain Philippon and Guillaume Arlet and Roger Labia and Bogdan Iorga},
time_added = {1652400006},
citationkey = {Philippon2022},
}
  • [DOI] N. Guthertz, R. Kant, R. Martinez, Y. Xu, C. Trinh, B. Iorga, F. Rousseau, J. Schymkowitz, D. Brockwell, and S. Radford, “The effect of mutation on an aggregation-prone protein: an in~vivo, in~vitro, and in silico analysis,” Proceedings of the national academy of sciences, vol. 119, iss. 22, 2022.
    [Bibtex] 
    @article{Guthertz2022,
doi = {10.1073/pnas.2200468119},
url = {https://doi.org/10.1073%2Fpnas.2200468119},
year = {2022},
month = {may},
publisher = {Proceedings of the National Academy of Sciences},
volume = {119},
number = {22},
title = {The effect of mutation on an aggregation-prone protein: An in~vivo, in~vitro, and in silico analysis},
journal = {Proceedings of the National Academy of Sciences},
tags = {D4,EQ77},
author = {N. Guthertz and R. Kant and R. Martinez and Y. Xu and C. Trinh and B. Iorga and F. Rousseau and J. Schymkowitz and D. Brockwell and S. Radford},
time_added = {1663545612},
}
  • [DOI] E. Dahdouh, L. Allander, L. Falgenhauer, B. Iorga, S. Lorenzetti, Í. Marcos-Alcalde, N. Martin, L. Martínez-Martínez, J. Mingorance, T. Naas, J. Rubin, F. Spyrakis, T. Tängdén, and P. Gómez-Puertas, “Computational modeling and design of new inhibitors of carbapenemases: a discussion from the EPIC alliance network,” International journal of molecular sciences, vol. 23, iss. 17, p. 9746, 2022.
    [Bibtex] 
    @article{Dahdouh2022,
doi = {10.3390/ijms23179746},
url = {https://doi.org/10.3390%2Fijms23179746},
year = {2022},
month = {aug},
publisher = {{MDPI} {AG}},
volume = {23},
number = {17},
pages = {9746},
title = {Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the {EPIC} Alliance Network},
journal = {International Journal of Molecular Sciences},
tags = {D4,EQ77},
author = {Elias Dahdouh and Lisa Allander and Linda Falgenhauer and Bogdan Iorga and Stefano Lorenzetti and {\'{I}}{\~{n}}igo Marcos-Alcalde and Nathaniel Martin and Luis Mart{\'{\i}}nez-Mart{\'{\i}}nez and Jes{\'{u}}s Mingorance and Thierry Naas and Joseph Rubin and Francesca Spyrakis and Thomas Tängd{\'{e}}n and Paulino G{\'{o}}mez-Puertas},
time_added = {1663545612},
}

2021

  • [DOI] Z. Çekin, L. Dabos, G. M. g}, N. Fortineau, B. Bayraktar, B. Iorga, T. Naas, and E. A. s}, “Carbapenemase -producing pseudomonas aeruginosa isolates from turkey: first report of p. aeruginosa high-risk clones with VIM-5– and IMP-7–type carbapenemases in a tertiary hospital,” Diagnostic microbiology and infectious disease, vol. 99, iss. 1, p. 115174, 2021.
    [Bibtex] 
    @article{Cekin2021,
doi = {10.1016/j.diagmicrobio.2020.115174},
url = {https://doi.org/10.1016%2Fj.diagmicrobio.2020.115174},
year = {2021},
month = {jan},
publisher = {Elsevier {BV}},
volume = {99},
number = {1},
pages = {115174},
title = {Carbapenemase -producing Pseudomonas aeruginosa isolates from Turkey: first report of P. aeruginosa high-risk clones with {VIM}-5{\textendash} and {IMP}-7{\textendash}type carbapenemases in a tertiary hospital},
journal = {Diagnostic Microbiology and Infectious Disease},
tags = {D4,EQ77},
author = {Zuhal {\c{C}}ekin and Laura Dabos and Gül{\c{s}}ah Malko{\c{c}}o{\u{g}}lu and Nicolas Fortineau and Banu Bayraktar and Bogdan Iorga and Thierry Naas and Elif Akta{\c{s}}},
time_added = {1618926608},
}
  • [DOI] E. Romero, S. Oueslati, M. Benchekroun, A. D’Hollander, S. Ventre, K. Vijayakumar, C. Minard, C. Exilie, L. Tlili, P. Retailleau, A. Zavala, E. Elisée, E. Selwa, L. Nguyen, A. Pruvost, T. Naas, B. Iorga, R. Dodd, and K. Cariou, “Azetidinimines as a novel series of non-covalent broad-spectrum inhibitors of β-lactamases with submicromolar activities against carbapenemases KPC-2 (class a), NDM-1 (class b) and OXA-48 (class d),” European journal of medicinal chemistry, vol. 219, p. 113418, 2021.
    [Bibtex] 
    @article{Romero2021,
doi = {10.1016/j.ejmech.2021.113418},
url = {https://doi.org/10.1016%2Fj.ejmech.2021.113418},
year = {2021},
month = {jul},
publisher = {Elsevier {BV}},
volume = {219},
pages = {113418},
title = {Azetidinimines as a novel series of non-covalent broad-spectrum inhibitors of β-lactamases with submicromolar activities against carbapenemases {KPC}-2 (class A), {NDM}-1 (class B) and {OXA}-48 (class D)},
journal = {European Journal of Medicinal Chemistry},
tags = {D4,D5,EQ31,EQ77},
author = {Eug{\'{e}}nie Romero and Saoussen Oueslati and Mohamed Benchekroun and Agathe D'Hollander and Sandrine Ventre and Kamsana Vijayakumar and Corinne Minard and Cynthia Exilie and Linda Tlili and Pascal Retailleau and Agustin Zavala and Eddy Elis{\'{e}}e and Edithe Selwa and Laetitia Nguyen and Alain Pruvost and Thierry Naas and Bogdan Iorga and Robert Dodd and Kevin Cariou},
time_added = {1621296009},
citationkey = {Romero2021},
}
  • [DOI] M{\u{a}}d{\u. a}, A. Muntean, F. Guerin, V. Cattoir, E. Creton, G. Cotellon, S. Oueslati, M. Popa, D. Girlich, B. Iorga, R. Bonnin, and T. Naas, “Optimization of the rapid carbapenem inactivation method for use with AmpC hyperproducers,” Journal of antimicrobial chemotherapy, 2021.
    [Bibtex] 
    @article{Muntean2021,
doi = {10.1093/jac/dkab170},
url = {https://doi.org/10.1093%2Fjac%2Fdkab170},
year = {2021},
month = {jun},
publisher = {Oxford University Press ({OUP})},
title = {Optimization of the rapid carbapenem inactivation method for use with {AmpC} hyperproducers},
journal = {Journal of Antimicrobial Chemotherapy},
tags = {D4,EQ77},
author = {M{\u{a}}d{\u{a}}lina Muntean and Andrei-Alexandru Muntean and Fran{\c{c}}ois Guerin and Vincent Cattoir and Elodie Creton and Garance Cotellon and Saoussen Oueslati and Mircea Popa and Delphine Girlich and Bogdan Iorga and R{\'{e}}my Bonnin and Thierry Naas},
time_added = {1625875204},
}
  • [DOI] S. Fan, H. Nedev, R. Vijayan, B. Iorga, and O. Beckstein, “Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules,” Journal of computer-aided molecular design, vol. 35, iss. 7, p. 853–870, 2021.
    [Bibtex] 
    @article{Fan2021,
doi = {10.1007/s10822-021-00407-4},
url = {https://doi.org/10.1007%2Fs10822-021-00407-4},
year = {2021},
month = {jul},
publisher = {Springer Science and Business Media {LLC}},
volume = {35},
number = {7},
pages = {853--870},
title = {Precise force-field-based calculations of octanol-water partition coefficients for the {SAMPL}7 molecules},
journal = {Journal of Computer-Aided Molecular Design},
tags = {D4,EQ77},
author = {Shujie Fan and Hristo Nedev and Ranjit Vijayan and Bogdan Iorga and Oliver Beckstein},
time_added = {1630886403},
}
  • [DOI] M. Barsy, P. Mercuri, S. Oueslati, E. Elisée, T. Huang, P. Sacré, B. Iorga, T. Naas, M. Galleni, and P. Bogaerts, “Detection and characterization of VIM-52, a new variant of VIM-1 from klebsiella pneumoniae clinical isolate,” Antimicrobial agents and chemotherapy, 2021.
    [Bibtex] 
    @article{Barsy2021,
doi = {10.1128/aac.02660-20},
url = {https://doi.org/10.1128%2Faac.02660-20},
year = {2021},
month = {aug},
publisher = {American Society for Microbiology},
title = {Detection and characterization of {VIM}-52, a new variant of {VIM}-1 from Klebsiella pneumoniae clinical isolate},
journal = {Antimicrobial Agents and Chemotherapy},
tags = {D4,EQ77},
author = {Marie Barsy and Paola Mercuri and Saoussen Oueslati and Eddy Elis{\'{e}}e and Te-Din Huang and Pierre Sacr{\'{e}} and Bogdan Iorga and Thierry Naas and Moreno Galleni and Pierre Bogaerts},
time_added = {1631059206},
}
  • [DOI] A. D’Hollander, E. Romero, K. Vijayakumar, C. Houérou, P. Retailleau, R. Dodd, B. Iorga, and K. Cariou, “Base-mediated generation of ketenimines from ynamides: [3+2] annulation with azaallyl anions,” Advanced synthesis & catalysis, vol. 363, iss. 11, p. 2903–2908, 2021.
    [Bibtex] 
    @article{D\textquotesingle Hollander2021,
doi = {10.1002/adsc.202100047},
url = {https://doi.org/10.1002%2Fadsc.202100047},
year = {2021},
month = {apr},
publisher = {Wiley},
volume = {363},
number = {11},
pages = {2903--2908},
title = {Base-Mediated Generation of Ketenimines from Ynamides: [3+2] Annulation with Azaallyl Anions},
journal = {Advanced Synthesis {\&} Catalysis},
tags = {D4,D5,EQ31,EQ77},
author = {Agathe D'Hollander and Eug{\'{e}}nie Romero and Kamsana Vijayakumar and Camille Hou{\'{e}}rou and Pascal Retailleau and Robert Dodd and Bogdan Iorga and Kevin Cariou},
time_added = {1631059206},
citationkey = {D\textquotesingle Hollander2021},
}
  • [DOI] J. Rayes, J. Szewczyk, M. Deghelt, N. Csoma, A. Matagne, B. Iorga, S. Cho, and J. Collet, “Disorder is a critical component of lipoprotein sorting in gram-negative bacteria,” Nature chemical biology, 2021.
    [Bibtex] 
    @article{Rayes2021,
doi = {10.1038/s41589-021-00845-z},
url = {https://doi.org/10.1038%2Fs41589-021-00845-z},
year = {2021},
month = {jul},
publisher = {Springer Science and Business Media {LLC}},
title = {Disorder is a critical component of lipoprotein sorting in Gram-negative bacteria},
journal = {Nature Chemical Biology},
tags = {D4,EQ77},
author = {Jessica Rayes and Joanna Szewczyk and Michaël Deghelt and Naemi Csoma and Andr{\'{e}} Matagne and Bogdan Iorga and Seung-Hyun Cho and Jean-Fran{\c{c}}ois Collet},
time_added = {1631059206},
}
  • [DOI] C. Juillet, L. Ermolenko, D. Boyarskaya, B. Baratte, B. Josselin, H. Nedev, S. Bach, B. Iorga, J. Bignon, S. Ruchaud, and A. Al-Mourabit, “From synthetic simplified marine metabolite analogues to new selective allosteric inhibitor of aurora b kinase,” Journal of medicinal chemistry, vol. 64, iss. 2, p. 1197–1219, 2021.
    [Bibtex] 
    @article{Juillet2021,
doi = {10.1021/acs.jmedchem.0c02064},
url = {https://doi.org/10.1021%2Facs.jmedchem.0c02064},
year = {2021},
month = {jan},
publisher = {American Chemical Society ({ACS})},
volume = {64},
number = {2},
pages = {1197--1219},
title = {From Synthetic Simplified Marine Metabolite Analogues to New Selective Allosteric Inhibitor of Aurora B Kinase},
journal = {Journal of Medicinal Chemistry},
tags = {D1,D4,D5,EQ26,EQ43,EQ77},
author = {Charlotte Juillet and Ludmila Ermolenko and Dina Boyarskaya and Blandine Baratte and B{\'{e}}atrice Josselin and Hristo Nedev and St{\'{e}}phane Bach and Bogdan Iorga and J{\'{e}}r{\^{o}}me Bignon and Sandrine Ruchaud and Ali Al-Mourabit},
}
  • [DOI] A. Jousset, S. Oueslati, C. Emeraud, R. Bonnin, L. Dortet, B. Iorga, and T. Naas, “KPC-39-mediated resistance to ceftazidime-avibactam in a klebsiella pneumoniae ST307 clinical isolate,” Antimicrobial agents and chemotherapy, 2021.
    [Bibtex] 
    @article{Jousset2021,
doi = {10.1128/aac.01160-21},
url = {https://doi.org/10.1128%2Faac.01160-21},
year = {2021},
month = {oct},
publisher = {American Society for Microbiology},
title = {{KPC}-39-mediated resistance to Ceftazidime-Avibactam in a Klebsiella pneumoniae {ST}307 clinical isolate},
journal = {Antimicrobial Agents and Chemotherapy},
tags = {D4,EQ77},
author = {Agn{\`{e}}s Jousset and Saoussen Oueslati and C{\'{e}}cile Emeraud and R{\'{e}}my Bonnin and Laurent Dortet and Bogdan Iorga and Thierry Naas},
time_added = {1633478407},
}
  • [DOI] B. Gatin-Fraudet, R. Ottenwelter, T. Saux, S. Norsikian, M. Pucher, T. Lombès, A. Baron, P. Durand, G. Doisneau, Y. Bourdreux, B. Iorga, M. Erard, L. Jullien, D. Guianvarc’h, D. Urban, and B. Vauzeilles, “Evaluation of borinic acids as new, fast hydrogen peroxide–responsive triggers,” Proceedings of the national academy of sciences, vol. 118, iss. 50, p. e2107503118, 2021.
    [Bibtex] 
    @article{Gatin-Fraudet2021,
doi = {10.1073/pnas.2107503118},
url = {https://doi.org/10.1073%2Fpnas.2107503118},
year = {2021},
month = {dec},
publisher = {Proceedings of the National Academy of Sciences},
volume = {118},
number = {50},
pages = {e2107503118},
title = {Evaluation of borinic acids as new, fast hydrogen peroxide{\textendash}responsive triggers},
journal = {Proceedings of the National Academy of Sciences},
tags = {D3,D4,EQ7,EQ75,EQ77},
author = {Blaise Gatin-Fraudet and Roxane Ottenwelter and Thomas Saux and St{\'{e}}phanie Norsikian and Mathilde Pucher and Thomas Lomb{\`{e}}s and Aur{\'{e}}lie Baron and Philippe Durand and Gilles Doisneau and Yann Bourdreux and Bogdan Iorga and Marie Erard and Ludovic Jullien and Dominique Guianvarc'h and Dominique Urban and Boris Vauzeilles},
time_added = {1643158806},
}
  • [DOI] N. Tielker, L. Eberlein, O. Beckstein, S. Güssregen, B. Iorga, S. Kast, and S. Liu, “Perspective on the SAMPL and d3r blind prediction challenges for physics-based free energy methods,” in Free energy methods in drug discovery: current state and future directions, American chemical society, 2021, p. 67–107.
    [Bibtex] 
    @incollection{Tielker2021,
doi = {10.1021/bk-2021-1397.ch003},
url = {https://doi.org/10.1021%2Fbk-2021-1397.ch003},
year = {2021},
month = {nov},
publisher = {American Chemical Society},
pages = {67--107},
title = {Perspective on the {SAMPL} and D3R Blind Prediction Challenges for Physics-Based Free Energy Methods},
booktitle = {Free Energy Methods in Drug Discovery: Current State and Future Directions},
tags = {D4,EQ77},
author = {Nicolas Tielker and Lukas Eberlein and Oliver Beckstein and Stefan Güssregen and Bogdan Iorga and Stefan Kast and Shuai Liu},
time_added = {1654992007},
}
  • [DOI] M. Rima, C. Emeraud, R. Bonnin, C. Gonzalez, L. Dortet, B. Iorga, S. Oueslati, and T. Naas, “Biochemical characterization of oxa-244, an emerging oxa-48 variant with reduced β-lactam hydrolytic activity,” Journal of antimicrobial chemotherapy, vol. 76, iss. 8, p. 2024–2028, 2021.
    [Bibtex] 
    @article{Rima2021,
doi = {10.1093/jac/dkab142},
url = {https://doi.org/10.1093%2Fjac%2Fdkab142},
year = {2021},
month = {may},
publisher = {Oxford University Press ({OUP})},
volume = {76},
number = {8},
pages = {2024--2028},
title = {Biochemical characterization of OXA-244, an emerging OXA-48 variant with reduced β-lactam hydrolytic activity},
journal = {Journal of Antimicrobial Chemotherapy},
tags = {D4,EQ77},
author = {Mariam Rima and Cecile Emeraud and Rémy Bonnin and Camille Gonzalez and Laurent Dortet and Bogdan Iorga and Saoussen Oueslati and Thierry Naas},
}

2020

  • [DOI] L. Dabos, C. Rodriguez, M. Nastro, L. Dortet, R. Bonnin, A. Famiglietti, B. Iorga, C. Vay, and T. Naas, “LMB-1 producing citrobacter freundii from argentina, a novel player in the field of MBLs,” International journal of antimicrobial agents, vol. 55, iss. 2, p. 105857, 2020.
    [Bibtex] 
    @article{Dabos2020,
doi = {10.1016/j.ijantimicag.2019.11.014},
url = {https://doi.org/10.1016%2Fj.ijantimicag.2019.11.014},
year = {2020},
month = {feb},
publisher = {Elsevier {BV}},
volume = {55},
number = {2},
pages = {105857},
title = {{LMB}-1 producing Citrobacter freundii from Argentina, a novel player in the field of {MBLs}},
journal = {International Journal of Antimicrobial Agents},
tags = {D4,EQ77},
author = {Laura Dabos and Carlos Rodriguez and Marcela Nastro and Laurent Dortet and R{\'{e}}my Bonnin and Angela Famiglietti and Bogdan Iorga and Carlos Vay and Thierry Naas},
time_added = {1618926608},
}
  • [DOI] S. Oueslati, P. Retailleau, L. Marchini, C. Berthault, L. Dortet, R. Bonnin, B. Iorga, and T. Naas, “Role of arginine 214 in the substrate specificity of OXA-48,” Antimicrobial agents and chemotherapy, vol. 64, iss. 5, 2020.
    [Bibtex] 
    @article{Oueslati2020,
doi = {10.1128/aac.02329-19},
url = {https://doi.org/10.1128%2Faac.02329-19},
year = {2020},
month = {feb},
publisher = {American Society for Microbiology},
volume = {64},
number = {5},
title = {Role of Arginine 214 in the Substrate Specificity of {OXA}-48},
journal = {Antimicrobial Agents and Chemotherapy},
tags = {D4,D5,EQ31,EQ77},
author = {Saoussen Oueslati and Pascal Retailleau and Ludovic Marchini and Camille Berthault and Laurent Dortet and R{\'{e}}my Bonnin and Bogdan Iorga and Thierry Naas},
time_added = {1618926608},
}
  • [DOI] G. Rivière, S. Oueslati, M. Gayral, J. Créchet, N. Nhiri, E. Jacquet, J. Cintrat, F. Giraud, C. Heijenoort, E. Lescop, S. Pethe, B. Iorga, T. Naas, E. Guittet, and N. Morellet, “NMR characterization of the influence of zinc(II) ions on the structural and dynamic behavior of the new delhi metallo-β-lactamase-1 and on the binding with flavonols as inhibitors,” ACS omega, vol. 5, iss. 18, p. 10466–10480, 2020.
    [Bibtex] 
    @article{Riviere2020,
doi = {10.1021/acsomega.0c00590},
url = {https://doi.org/10.1021%2Facsomega.0c00590},
year = {2020},
month = {apr},
publisher = {American Chemical Society ({ACS})},
volume = {5},
number = {18},
pages = {10466--10480},
title = {{NMR} Characterization of the Influence of Zinc({II}) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-β-Lactamase-1 and on the Binding with Flavonols as Inhibitors},
journal = {{ACS} Omega},
tags = {D4,D5,EQ64,EQ77},
author = {Gwladys Rivi{\`{e}}re and Saoussen Oueslati and Maud Gayral and Jean-Bernard Cr{\'{e}}chet and Naïma Nhiri and Eric Jacquet and Jean-Christophe Cintrat and Fran{\c{c}}ois Giraud and Carine Heijenoort and Ewen Lescop and St{\'{e}}phanie Pethe and Bogdan Iorga and Thierry Naas and Eric Guittet and Nelly Morellet},
time_added = {1618926608},
citationkey = {Riviere2020},
}
  • [DOI] J. Collet, S. Cho, B. Iorga, and C. Goemans, “How the assembly and protection of the bacterial cell envelope depend on cysteine residues,” Journal of biological chemistry, vol. 295, iss. 34, p. 11984–11994, 2020.
    [Bibtex] 
    @article{Collet2020,
doi = {10.1074/jbc.rev120.011201},
url = {https://doi.org/10.1074%2Fjbc.rev120.011201},
year = {2020},
month = {aug},
publisher = {Elsevier {BV}},
volume = {295},
number = {34},
pages = {11984--11994},
title = {How the assembly and protection of the bacterial cell envelope depend on cysteine residues},
journal = {Journal of Biological Chemistry},
tags = {D4,EQ77},
author = {Jean-Fran{\c{c}}ois Collet and Seung-Hyun Cho and Bogdan Iorga and Camille Goemans},
time_added = {1618926608},
}
  • [DOI] S. Akocak, Ö. Güzel-Akdemir, R. Sanku, S. Russom, B. Iorga, C. Supuran, and M. Ilies, “Pyridinium derivatives of 3-aminobenzenesulfonamide are nanomolar-potent inhibitors of tumor-expressed carbonic anhydrase isozymes CA IX and CA XII,” Bioorganic chemistry, vol. 103, p. 104204, 2020.
    [Bibtex] 
    @article{Akocak2020,
doi = {10.1016/j.bioorg.2020.104204},
url = {https://doi.org/10.1016%2Fj.bioorg.2020.104204},
year = {2020},
month = {oct},
publisher = {Elsevier {BV}},
volume = {103},
pages = {104204},
title = {Pyridinium derivatives of 3-aminobenzenesulfonamide are nanomolar-potent inhibitors of tumor-expressed carbonic anhydrase isozymes {CA} {IX} and {CA} {XII}},
journal = {Bioorganic Chemistry},
tags = {D4,EQ77},
author = {Suleyman Akocak and Özlen Güzel-Akdemir and Rajesh Sanku and Samson Russom and Bogdan Iorga and Claudiu Supuran and Marc Ilies},
time_added = {1618926608},
}
  • [DOI] S. Fan, B. Iorga, and O. Beckstein, “Prediction of octanol-water partition coefficients for the SAMPL6-log p molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields,” Journal of computer-aided molecular design, vol. 34, iss. 5, p. 543–560, 2020.
    [Bibtex] 
    @article{Fan2020,
doi = {10.1007/s10822-019-00267-z},
url = {https://doi.org/10.1007%2Fs10822-019-00267-z},
year = {2020},
month = {jan},
publisher = {Springer Science and Business Media {LLC}},
volume = {34},
number = {5},
pages = {543--560},
title = {Prediction of octanol-water partition coefficients for the {SAMPL}6-log P molecules using molecular dynamics simulations with {OPLS}-{AA}, {AMBER} and {CHARMM} force fields},
journal = {Journal of Computer-Aided Molecular Design},
tags = {D4,EQ77},
author = {Shujie Fan and Bogdan Iorga and Oliver Beckstein},
time_added = {1618926608},
citationkey = {Fan2020},
}
  • [DOI] L. Dabos, A. Zavala, R. Bonnin, O. Beckstein, P. Retailleau, B. Iorga, and T. Naas, “Substrate specificity of OXA-48 after β5-β6 loop replacement,” ACS infectious diseases, vol. 6, iss. 5, p. 1032–1043, 2020.
    [Bibtex] 
    @article{Dabos2020a,
doi = {10.1021/acsinfecdis.9b00452},
url = {https://doi.org/10.1021%2Facsinfecdis.9b00452},
year = {2020},
month = {mar},
publisher = {American Chemical Society ({ACS})},
volume = {6},
number = {5},
pages = {1032--1043},
title = {Substrate Specificity of {OXA}-48 after β5-β6 Loop Replacement},
journal = {{ACS} Infectious Diseases},
tags = {D4,D5,EQ31,EQ77},
author = {Laura Dabos and Agustin Zavala and R{\'{e}}my Bonnin and Oliver Beckstein and Pascal Retailleau and Bogdan Iorga and Thierry Naas},
time_added = {1618926608},
citationkey = {Dabos2020a},
}
  • [DOI] M. Benchekroun, L. Ermolenko, M. Tran, A. Vagneux, H. Nedev, C. Delehouzé, M. Souab, B. Baratte, B. Josselin, B. Iorga, S. Ruchaud, S. Bach, and A. Al-Mourabit, “Discovery of simplified benzazole fragments derived from the marine benzosceptrin b as necroptosis inhibitors involving the receptor interacting protein kinase-1,” European journal of medicinal chemistry, vol. 201, p. 112337, 2020.
    [Bibtex] 
    @article{Benchekroun2020,
doi = {10.1016/j.ejmech.2020.112337},
url = {https://doi.org/10.1016%2Fj.ejmech.2020.112337},
year = {2020},
month = {sep},
publisher = {Elsevier {BV}},
volume = {201},
pages = {112337},
title = {Discovery of simplified benzazole fragments derived from the marine benzosceptrin B as necroptosis inhibitors involving the receptor interacting protein Kinase-1},
journal = {European Journal of Medicinal Chemistry},
tags = {D4,EQ77,D1,EQ43},
author = {Mohamed Benchekroun and Ludmila Ermolenko and Minh Tran and Agathe Vagneux and Hristo Nedev and Claire Delehouz{\'{e}} and Mohamed Souab and Blandine Baratte and B{\'{e}}atrice Josselin and Bogdan Iorga and Sandrine Ruchaud and St{\'{e}}phane Bach and Ali Al-Mourabit},
time_added = {1618926608},
citationkey = {Benchekroun2020},
}
  • [DOI] K. Dekoninck, J. Létoquart, C. Laguri, P. Demange, R. Bevernaegie, J. Simorre, O. Dehu, B. Iorga, B. Elias, S. Cho, and J. Collet, “Defining the function of OmpA in the rcs stress response,” eLife, vol. 9, 2020.
    [Bibtex] 
    @article{Dekoninck2020,
doi = {10.7554/elife.60861},
url = {https://doi.org/10.7554%2Felife.60861},
year = {2020},
month = {sep},
publisher = {{eLife} Sciences Publications, Ltd},
volume = {9},
title = {Defining the function of {OmpA} in the Rcs stress response},
journal = {{eLife}},
tags = {D4,EQ77},
author = {Kilian Dekoninck and Juliette L{\'{e}}toquart and C{\'{e}}dric Laguri and Pascal Demange and Robin Bevernaegie and Jean-Pierre Simorre and Olivia Dehu and Bogdan Iorga and Benjamin Elias and Seung-Hyun Cho and Jean-Francois Collet},
time_added = {1618926608},
}
  • [DOI] R. Rodríguez-Alonso, J. Létoquart, V. Nguyen, G. Louis, A. Calabrese, B. Iorga, S. Radford, S. Cho, H. Remaut, and J. Collet, “Structural insight into the formation of lipoprotein-beta-barrel complexes,” Nature chemical biology, vol. 16, iss. 9, p. 1019–1025, 2020.
    [Bibtex] 
    @article{RodriguezAlonso2020,
doi = {10.1038/s41589-020-0575-0},
url = {https://doi.org/10.1038%2Fs41589-020-0575-0},
year = {2020},
month = {jun},
publisher = {Springer Science and Business Media {LLC}},
volume = {16},
number = {9},
pages = {1019--1025},
title = {Structural insight into the formation of lipoprotein-beta-barrel complexes},
journal = {Nature Chemical Biology},
tags = {D4,EQ77},
author = {Raquel Rodr{\'{\i}}guez-Alonso and Juliette L{\'{e}}toquart and Van Nguyen and Gwennaelle Louis and Antonio Calabrese and Bogdan Iorga and Sheena Radford and Seung-Hyun Cho and Han Remaut and Jean-Fran{\c{c}}ois Collet},
time_added = {1618926608},
citationkey = {RodriguezAlonso2020},
}
  • [DOI] Z. Song, Y. Hu, B. Iorga, C. Vallières, N. Fisher, and B. Meunier, “Mutational analysis of the qi-site proton pathway in yeast cytochrome bc1 complex,” Biochemical and biophysical research communications, vol. 523, iss. 3, p. 615–619, 2020.
    [Bibtex] 
    @article{Song2020a,
doi = {10.1016/j.bbrc.2019.12.102},
url = {https://doi.org/10.1016%2Fj.bbrc.2019.12.102},
year = {2020},
month = {mar},
publisher = {Elsevier {BV}},
volume = {523},
number = {3},
pages = {615--619},
title = {Mutational analysis of the Qi-site proton pathway in yeast cytochrome bc1 complex},
journal = {Biochemical and Biophysical Research Communications},
tags = {D4,EQ77},
author = {Zehua Song and Yangfeng Hu and Bogdan Iorga and Cindy Valli{\`{e}}res and Nicholas Fisher and Brigitte Meunier},
time_added = {1618926608},
}

2019

  • [DOI] E. Benoit, A. Couesnon, J. Lindovsky, B. Iorga, R. Araoz, D. Servent, A. Zakarian, and J. Molgo, “Synthetic pinnatoxins a and g reversibly block mouse skeletal neuromuscular transmission in vivo and in vitro,” Mar drugs, vol. 17, iss. 5, p. 306, 2019.
    [Bibtex] 
    @article{Benoit2019,
file = {:Benoit2019.pdf:PDF},
journal = {Mar Drugs},
title = {Synthetic Pinnatoxins A and G Reversibly Block Mouse Skeletal Neuromuscular Transmission In Vivo and In Vitro},
year = {2019},
issn = {1660-3397},
number = {5},
pages = {306},
volume = {17},
doi = {10.3390/md17050306},
tags = {D4,EQ77},
type = {Journal Article},
url = {https://www.ncbi.nlm.nih.gov/pubmed/31137661},
author = {E. Benoit and A. Couesnon and J. Lindovsky and B. Iorga and R. Araoz and D. Servent and A. Zakarian and J. Molgo},
}
  • [DOI] J. Dallery, G. Goff, E. Adelin, B. Iorga, S. Pigne, R. O’Connell, and J. Ouazzani, “Deleting a chromatin remodeling gene increases the diversity of secondary metabolites produced by colletotrichum higginsianum,” J nat prod, vol. 82, iss. 4, p. 813–822, 2019.
    [Bibtex] 
    @article{Dallery2019,
file = {:Dallery2019.pdf:PDF},
journal = {J Nat Prod},
title = {Deleting a Chromatin Remodeling Gene Increases the Diversity of Secondary Metabolites Produced by Colletotrichum higginsianum},
year = {2019},
issn = {1520-6025},
number = {4},
pages = {813--822},
volume = {82},
doi = {10.1021/acs.jnatprod.8b00796},
tags = {D1,D4,EQ77,EQ95},
type = {Journal Article},
url = {https://www.ncbi.nlm.nih.gov/pubmed/30776231},
author = {J. Dallery and G. Goff and E. Adelin and B. Iorga and S. Pigne and R. O'Connell and J. Ouazzani},
}
  • [DOI] E. Elisee, V. Gapsys, N. Mele, L. Chaput, E. Selwa, B. Groot, and B. Iorga, “Performance evaluation of molecular docking and free energy calculations protocols using the d3r grand challenge 4 dataset,” J comput aided mol des, 2019.
    [Bibtex] 
    @article{Elisee2019,
file = {:Elisee2019.pdf:PDF},
journal = {J Comput Aided Mol Des},
title = {Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset},
year = {2019},
issn = {1573-4951},
doi = {10.1007/s10822-019-00232-w},
tags = {D4,EQ77},
type = {Journal Article},
url = {https://www.ncbi.nlm.nih.gov/pubmed/31677003},
author = {E. Elisee and V. Gapsys and N. Mele and L. Chaput and E. Selwa and B. Groot and B. Iorga},
}
  • [DOI] J. Molgó, M. Amar, R. Araoz, E. Benoit, B. Iorga, and T. Yasumoto, “The cyclic imine family of dinoflagellate toxins targeting nicotinic acetylcholine receptors,” Toxicon, vol. 158, iss. S22, 2019.
    [Bibtex] 
    @article{Molgo2019,
file = {:Molgo2019.pdf:PDF},
journal = {Toxicon},
title = {The cyclic imine family of dinoflagellate toxins targeting nicotinic acetylcholine receptors},
year = {2019},
number = {S22},
volume = {158},
doi = {10.1016/j.toxicon.2018.10.080},
tags = {D4,EQ77},
type = {Journal Article},
author = {J. Molgó and M. Amar and R. Araoz and E. Benoit and B. Iorga and T. Yasumoto},
}
  • [DOI] S. Oueslati, B. Iorga, L. Tlili, C. Exilie, A. Zavala, L. Dortet, A. Jousset, S. Bernabeu, R. Bonnin, and T. Naas, “Unravelling ceftazidime/avibactam resistance of kpc-28, a kpc-2 variant lacking carbapenemase activity,” J antimicrob chemother, vol. 74, iss. 8, p. 2239–2246, 2019.
    [Bibtex] 
    @article{Oueslati2019,
file = {:Oueslati2019.pdf:PDF},
journal = {J Antimicrob Chemother},
title = {Unravelling ceftazidime/avibactam resistance of KPC-28, a KPC-2 variant lacking carbapenemase activity},
year = {2019},
issn = {1460-2091},
number = {8},
pages = {2239--2246},
volume = {74},
doi = {10.1093/jac/dkz209},
tags = {D4,EQ77},
type = {Journal Article},
url = {https://www.ncbi.nlm.nih.gov/pubmed/31127297},
author = {S. Oueslati and B. Iorga and L. Tlili and C. Exilie and A. Zavala and L. Dortet and A. Jousset and S. Bernabeu and R. Bonnin and T. Naas},
}
  • [DOI] A. Zavala, P. Retailleau, E. Elisee, B. Iorga, and T. Naas, “Genetic, biochemical, and structural characterization of cmy-136 beta-lactamase, a peculiar cmy-2 variant,” Acs infect dis, vol. 5, iss. 4, p. 528–538, 2019.
    [Bibtex] 
    @article{Zavala2019,
file = {:Zavala2019.pdf:PDF},
journal = {ACS Infect Dis},
title = {Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant},
year = {2019},
issn = {2373-8227},
number = {4},
pages = {528--538},
volume = {5},
doi = {10.1021/acsinfecdis.8b00240},
tags = {D4,D5,EQ31,EQ77},
type = {Journal Article},
url = {https://www.ncbi.nlm.nih.gov/pubmed/30788955},
author = {A. Zavala and P. Retailleau and E. Elisee and B. Iorga and T. Naas},
}
  • [DOI] S. Oueslati, P. Retailleau, L. Marchini, L. Dortet, R. Bonnin, B. Iorga, and T. Naas, “Biochemical and structural characterization of OXA-405, an OXA-48 variant with extended-spectrum β-lactamase activity,” Microorganisms, vol. 8, iss. 1, p. 24, 2019.
    [Bibtex] 
    @article{Oueslati2019a,
doi = {10.3390/microorganisms8010024},
url = {https://doi.org/10.3390%2Fmicroorganisms8010024},
year = {2019},
month = {dec},
publisher = {{MDPI} {AG}},
volume = {8},
number = {1},
pages = {24},
title = {Biochemical and Structural Characterization of {OXA}-405, an {OXA}-48 Variant with Extended-Spectrum β-Lactamase Activity},
journal = {Microorganisms},
tags = {D4,D5,EQ31,EQ77},
author = {Saoussen Oueslati and Pascal Retailleau and Ludovic Marchini and Laurent Dortet and R{\'{e}}my Bonnin and Bogdan Iorga and Thierry Naas},
time_added = {1618926608},
citationkey = {Oueslati2019a},
}
  • [DOI] S. Oueslati, L. Tlili, C. Exilie, S. Bernabeu, B. Iorga, R. Bonnin, L. Dortet, and T. Naas, “Different phenotypic expression of KPC β-lactamase variants and challenges in their detection,” Journal of antimicrobial chemotherapy, vol. 75, iss. 3, p. 769–771, 2019.
    [Bibtex] 
    @article{Oueslati2019b,
doi = {10.1093/jac/dkz508},
url = {https://doi.org/10.1093%2Fjac%2Fdkz508},
year = {2019},
month = {dec},
publisher = {Oxford University Press ({OUP})},
volume = {75},
number = {3},
pages = {769--771},
title = {Different phenotypic expression of {KPC} β-lactamase variants and challenges in their detection},
journal = {Journal of Antimicrobial Chemotherapy},
tags = {D4,EQ77},
author = {Saoussen Oueslati and Linda Tlili and Cynthia Exilie and Sandrine Bernabeu and Bogdan Iorga and R{\'{e}}my Bonnin and Laurent Dortet and Thierry Naas},
time_added = {1618926608},
citationkey = {Oueslati2019b},
}
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