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Ultra-large library docking for discovering new chemotypes
Author / Creator:Lyu, Jiankun ; Wang, Sheng ; Balius, Trent E. ; Singh, Isha ; Levit, Anat ; Moroz, Yurii S. ; O’Meara, Matthew J. ; Che, Tao ; Algaa, Enkhjargal ; Tolmachova, Kateryna ; Tolmachev, Andrey A. ; Shoichet, Brian K. ; Roth, Bryan L. ; Irwin, John J.
Publisher:London: Nature Publishing Group UK
Journal title:Nature (London), 2019-02, Vol.566 (7743), p.224-229
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New Carbapenemase Inhibitors: Clearing the Way for the β-Lactams
Author / Creator:Vázquez-Ucha, Juan C. ; Arca-Suárez, Jorge ; Bou, Germán ; Beceiro, Alejandro
Publisher:Switzerland: MDPI AG
Journal title:International journal of molecular sciences, 2020-12, Vol.21 (23), p.9308
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Cross-class metallo-β-lactamase inhibition by bisthiazolidines reveals multiple binding modes
Author / Creator:Hinchliffe, Philip ; González, Mariano M. ; Mojica, Maria F. ; González, Javier M. ; Castillo, Valerie ; Saiz, Cecilia ; Kosmopoulou, Magda ; Tooke, Catherine L. ; Llarrull, Leticia I. ; Mahler, Graciela ; Bonomo, Robert A. ; Vila, Alejandro J. ; Spencer, James
Publisher:United States: National Academy of Sciences
Journal title:Proceedings of the National Academy of Sciences - PNAS, 2016-06, Vol.113 (26), p.E3745-E3754
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Imitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors
Author / Creator:Brem Jürgen ; Tharindi, Panduwawala ; Hansen, Jon Ulf ; Hewitt, Joanne ; Liepins Edgars ; Donets Pawel ; Espina, Laura ; Farley Alistair J M ; Shubin Kirill ; Campillos Gonzalo Gomez ; Kiuru, Paula ; Shifali, Shishodia ; Krahn, Daniel ; Leśniak, Robert K ; Schmidt (Adrian) Juliane ; Calvopiña Karina ; María-Carmen, Turrientes ; Kavanagh, Madeline E ; Dmitrijs, Lubriks ; Hinchliffe, Philip ; Langley, Gareth W ; Aboklaish, Ali F ; Eneroth Anders ; Backlund, Maria ; Baran, Andrei G ; Nielsen, Elisabet I ; Speake, Michael ; Kuka Janis ; Robinson, John ; Grinberga Solveiga ; Robinson, Lindsay ; McDonough, Michael A ; Rydzik, Anna M ; Leissing, Thomas M ; Jimenez-Castellanos, Juan Carlos ; Avison, Matthew B ; Da Silva Pinto Solange ; Pannifer Andrew D ; Martjuga Marina ; Widlake Emma ; Martins, Priede ; Hopkins Navratilova Iva ; Gniadkowski Marek ; Belfrage, Anna Karin ; Brandt, Peter ; Yli-Kauhaluoma Jari ; Bacque, Eric ; Page Malcolm G P ; Björkling Fredrik ; Tyrrell, Jonathan M ; Spencer, James ; Lang, Pauline A ; Baranczewski Pawel ; Cantón Rafael ; McElroy, Stuart P ; Jones, Philip S ; Baquero, Fernando ; Edgars, Suna ; Morrison, Angus ; Walsh, Timothy R ; Schofield, Christopher J
Publisher:London: Nature Publishing Group
Journal title:Nature chemistry, 2022-01, Vol.14 (1), p.15-24
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Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1
Author / Creator:Mulligan, Vikram Khipple ; Workman, Sean ; Sun, Tianjun ; Rettie, Stephen ; Li, Xinting ; Worrall, Liam J. ; Craven, Timothy W. ; King, Dustin T. ; Hosseinzadeh, Parisa ; Watkins, Andrew M. ; Renfrew, P. Douglas ; Guffy, Sharon ; Labonte, Jason W. ; Moretti, Rocco ; Bonneau, Richard ; Strynadka, Natalie C. J. ; Baker, David
Publisher:United States: National Academy of Sciences
Journal title:Proceedings of the National Academy of Sciences - PNAS, 2021-03, Vol.118 (12), p.1-9
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Rhodanine hydrolysis leads to potent thioenolate mediated metallo-β-lactamase inhibition
Author / Creator:Brem, Jürgen ; van Berkel, Sander S. ; Aik, WeiShen ; Rydzik, Anna M. ; Avison, Matthew B. ; Pettinati, Ilaria ; Umland, Klaus-Daniel ; Kawamura, Akane ; Spencer, James ; Claridge, Timothy D. W. ; McDonough, Michael A. ; Schofield, Christopher J.
Publisher:London: Nature Publishing Group UK
Journal title:Nature chemistry, 2014-12, Vol.6 (12), p.1084-1090
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Covalent docking of large libraries for the discovery of chemical probes
Author / Creator:London, Nir ; Miller, Rand M ; Krishnan, Shyam ; Uchida, Kenji ; Irwin, John J ; Eidam, Oliv ; Gibold, Lucie ; Cimermančič, Peter ; Bonnet, Richard ; Shoichet, Brian K ; Taunton, Jack
Publisher:New York: Nature Publishing Group US
Journal title:Nature chemical biology, 2014-12, Vol.10 (12), p.1066-1072
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Tackling the Antibiotic Resistance Caused by Class A β-Lactamases through the Use of β-Lactamase Inhibitory Protein
Author / Creator:Eiamphungporn, Warawan ; Schaduangrat, Nalini ; Malik, Aijaz Ahmad ; Nantasenamat, Chanin
Publisher:Switzerland: MDPI AG
Journal title:International journal of molecular sciences, 2018-07, Vol.19 (8), p.2222
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Studies on enmetazobactam clarify mechanisms of widely used β-lactamase inhibitors
Author / Creator:Lang, Pauline A. ; Raj, Ritu ; Tumber, Anthony ; Lohans, Christopher T. ; Rabe, Patrick ; Robinson, Carol V. ; Brem, Jürgen ; Schofield, Christopher J.
Publisher:United States: National Academy of Sciences
Journal title:Proceedings of the National Academy of Sciences - PNAS, 2022-05, Vol.119 (18), p.1-10
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ETX2514 is a broad-spectrum β-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii
Author / Creator:Durand-Réville, Thomas F. ; Guler, Satenig ; Comita-Prevoir, Janelle ; Chen, Brendan ; Bifulco, Neil ; Huynh, Hoan ; Lahiri, Sushmita ; Shapiro, Adam B. ; McLeod, Sarah M. ; Carter, Nicole M. ; Moussa, Samir H. ; Velez-Vega, Camilo ; Olivier, Nelson B. ; McLaughlin, Robert ; Gao, Ning ; Thresher, Jason ; Palmer, Tiffany ; Andrews, Beth ; Giacobbe, Robert A. ; Newman, Joseph V. ; Ehmann, David E. ; de Jonge, Boudewijn ; O'Donnell, John ; Mueller, John P. ; Tommasi, Rubén A. ; Miller, Alita A.
Publisher:London: Nature Publishing Group UK
Journal title:Nature microbiology, 2017-06, Vol.2 (9), p.17104, Article 17104
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Advanced Large-Stokes-Shift Fluorescent Probe for the Detection of Biothiols: Facilitating Accurate Indirect Measurement of β-Lactamases
Author / Creator:Liu, Likun ; Yan, Dongling ; Ma, Yukun ; Hou, Peng ; Qi, Pengfei ; Zhang, Xue ; Liu, Yitong ; Chen, Song
Publisher:Switzerland: MDPI AG
Journal title:International journal of molecular sciences, 2025-01, Vol.26 (2), p.525
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Targeting beta-lactamase activity with Oxacyclohexadecan-2-one in carbapenem-resistant uropathogenic E. coli: A molecular simulation approach
Author / Creator:Balaji, Priyanka ; N, Madhana Priya ; Bhaskar M., Emmanuel ; R, Gnanasambandan ; Paul, Solomon F. D. ; R., Magesh
Publisher:United States: Public Library of Science
Journal title:PloS one, 2025-02, Vol.20 (2), p.e0317941
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Discovery of potential inhibitors against New Delhi metallo-β-lactamase-1 from natural compounds: in silico-based methods
Author / Creator:Salari-jazi, Azhar ; Mahnam, Karim ; Sadeghi, Parisa ; Damavandi, Mohamad Sadegh ; Faghri, Jamshid
Publisher:London: Nature Publishing Group UK
Journal title:Scientific reports, 2021-01, Vol.11 (1), p.2390-2390, Article 2390
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Metallo-β-Lactamase Inhibitors Inspired on Snapshots from the Catalytic Mechanism
Author / Creator:Palacios, Antonela R. ; Rossi, María-Agustina ; Mahler, Graciela S. ; Vila, Alejandro J.
Publisher:Switzerland: MDPI
Journal title:Biomolecules (Basel, Switzerland), 2020-06, Vol.10 (6), p.854
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Discovery of Boronic Acids-Based β-Lactamase Inhibitors Through In Situ Click Chemistry
Author / Creator:Santi, Nicolò ; Piccirilli, Alessandra ; Corsini, Federico ; Taracila, Magdalena A. ; Perilli, Mariagrazia ; Bonomo, Robert A. ; Fini, Francesco ; Prati, Fabio ; Caselli, Emilia
Publisher:Switzerland: MDPI AG
Journal title:International journal of molecular sciences, 2025-04, Vol.26 (9), p.4182
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Current Strategy for Targeting Metallo-β-Lactamase with Metal-Ion-Binding Inhibitors
Author / Creator:Ortega-Balleza, Jessica L. ; Vázquez-Jiménez, Lenci K. ; Ortiz-Pérez, Eyra ; Avalos-Navarro, Guadalupe ; Paz-González, Alma D. ; Lara-Ramírez, Edgar E. ; Rivera, Gildardo
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2024-08, Vol.29 (16), p.3944
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Human metallo-β-lactamase enzymes degrade penicillin
Author / Creator:Diene, Seydina M. ; Pinault, Lucile ; Keshri, Vivek ; Armstrong, Nicholas ; Khelaifia, Saber ; Chabrière, Eric ; Caetano-Anolles, Gustavo ; Colson, Philippe ; La Scola, Bernard ; Rolain, Jean-Marc ; Pontarotti, Pierre ; Raoult, Didier
Publisher:London: Nature Publishing Group UK
Journal title:Scientific reports, 2019-08, Vol.9 (1), p.12173-7, Article 12173
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Risedronate and Methotrexate Are High-Affinity Inhibitors of New Delhi Metallo-β-Lactamase-1 (NDM-1): A Drug Repurposing Approach
Author / Creator:Muteeb, Ghazala ; Alsultan, Abdulrahman ; Farhan, Mohd ; Aatif, Mohammad
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-02, Vol.27 (4), p.1283
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Insight into the Effect of Inhibitor Resistant S130G Mutant on Physico-Chemical Properties of SHV Type Beta-Lactamase: A Molecular Dynamics Study
Author / Creator:Baig, Mohd Hassan ; Sudhakar, D. Raja ; Kalaiarasan, Ponnusamy ; Subbarao, Naidu ; Wadhawa, Gulshan ; Lohani, Mohtashim ; Khan, M Kalim A ; Khan, Asad U.
Publisher:United States: Public Library of Science
Journal title:PloS one, 2014-12, Vol.9 (12), p.e112456-e112456
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Comprehensive screening of potential inhibitors from ZINC15 database for Metallo-L1 Β -Lactamase from Stenotrophomonas maltophilia via in Silico and in vitro approaches
Author / Creator:Sreenithya, K H ; Manoharadas, Salim ; Sugumar, Shobana
Publisher:England: BioMed Central
Journal title:BMC microbiology, 2025-05, Vol.25 (1), p.268-15, Article 268
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Showing 1 to 20 of 45 results

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Ultra-large library docking for discovering new chemotypes

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New Carbapenemase Inhibitors: Clearing the Way for the β-Lactams

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Cross-class metallo-β-lactamase inhibition by bisthiazolidines reveals multiple binding modes

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Imitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors

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Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1

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Rhodanine hydrolysis leads to potent thioenolate mediated metallo-β-lactamase inhibition

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Covalent docking of large libraries for the discovery of chemical probes

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Tackling the Antibiotic Resistance Caused by Class A β-Lactamases through the Use of β-Lactamase Inhibitory Protein

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Studies on enmetazobactam clarify mechanisms of widely used β-lactamase inhibitors

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ETX2514 is a broad-spectrum β-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii

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Advanced Large-Stokes-Shift Fluorescent Probe for the Detection of Biothiols: Facilitating Accurate Indirect Measurement of β-Lactamases

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Targeting beta-lactamase activity with Oxacyclohexadecan-2-one in carbapenem-resistant uropathogenic E. coli: A molecular simulation approach

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Discovery of potential inhibitors against New Delhi metallo-β-lactamase-1 from natural compounds: in silico-based methods

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Metallo-β-Lactamase Inhibitors Inspired on Snapshots from the Catalytic Mechanism

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Discovery of Boronic Acids-Based β-Lactamase Inhibitors Through In Situ Click Chemistry

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Current Strategy for Targeting Metallo-β-Lactamase with Metal-Ion-Binding Inhibitors

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Human metallo-β-lactamase enzymes degrade penicillin

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Risedronate and Methotrexate Are High-Affinity Inhibitors of New Delhi Metallo-β-Lactamase-1 (NDM-1): A Drug Repurposing Approach

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Insight into the Effect of Inhibitor Resistant S130G Mutant on Physico-Chemical Properties of SHV Type Beta-Lactamase: A Molecular Dynamics Study

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Comprehensive screening of potential inhibitors from ZINC15 database for Metallo-L1 Β -Lactamase from Stenotrophomonas maltophilia via in Silico and in vitro approaches

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