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4E3N	Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor Descriptor: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
5HAI	P99 beta-lactamase mutant - S64G Descriptor: Beta-lactamase, PHOSPHATE ION Authors: Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. Deposit date: 2015-12-30 Release date: 2016-09-07 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.74 Å) Cite: Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
3FKW	AmpC K67R mutant apo structure Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION Authors: Chen, Y, McReynolds, A, Shoichet, B.K. Deposit date: 2008-12-17 Release date: 2009-03-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Re-examining the role of Lys67 in class C beta-lactamase catalysis. Protein Sci., 18, 2009
4E6X	ClbP in complex boron-based inhibitor Descriptor: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, ClbP peptidase, PHOSPHATE ION Authors: Cougnoux, A, Delmas, J, Bonnet, R. Deposit date: 2012-03-16 Release date: 2013-03-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.24 Å) Cite: The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria To be Published
4E6W	ClbP in complex with 3-aminophenyl boronic acid Descriptor: ClbP peptidase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION Authors: Cougnoux, A, Delmas, J, Bonnet, R. Deposit date: 2012-03-16 Release date: 2013-03-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.19 Å) Cite: The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria To be Published
3FKV	AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb) Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... Authors: Chen, Y, McReynolds, A, Shoichet, B.K. Deposit date: 2008-12-17 Release date: 2009-03-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.847 Å) Cite: Re-examining the role of Lys67 in class C beta-lactamase catalysis. Protein Sci., 18, 2009
3LY4	Crystal Structure of fluorophore-labeled Class A -lactamase PenP-E166Cb in complex with penicillin G Descriptor: Beta-lactamase, OPEN FORM - PENICILLIN G Authors: Zhao, Y.X, Leung, Y.C, Wong, W.T. Deposit date: 2010-02-26 Release date: 2011-03-02 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of fluorophore-labeled Class A -lactamase PenP-E166Cb in complex with penicillin G To be Published
3LY3	Crystal Structure of fluorophore-labeled Class A Beta-lactamase PenP Descriptor: Beta-lactamase Authors: Zhao, Y.X, Leung, Y.C, Wong, W.T. Deposit date: 2010-02-26 Release date: 2011-03-02 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of fluorophore-labeled Class A Beta-lactamase PenP To be Published
3M2K	Crystal Structure of fluorescein-labeled Class A -beta lactamase PenP in complex with cefotaxime Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ... Authors: Zhao, Y.X, Leung, Y.C, Wong, W.T. Deposit date: 2010-03-07 Release date: 2011-03-16 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Structural studies of the mechanism for biosensing antibiotics in a fluorescein-labeled beta-lactamase. BMC Struct. Biol., 11, 2011
3M2J	Crystal Structure of fluorescein-labeled Class A -lactamase PenP Descriptor: 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Beta-lactamase, SULFATE ION Authors: Zhao, Y.X, Leung, Y.C, Wong, W.T. Deposit date: 2010-03-07 Release date: 2011-03-16 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of fluorescein-labeled Class A -lactamase PenP To be Published
3GV9	AmpC beta-lactamase in complex with Fragment-based Inhibitor Descriptor: 3-(acetylamino)thiophene-2-carboxylic acid, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ... Authors: Teotico, D.T, Shoichet, B.K. Deposit date: 2009-03-30 Release date: 2009-04-14 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
3GRJ	AmpC beta-lactamase in complex with Fragment-based Inhibitor Descriptor: 2-phenyl-1H-imidazole-4-carboxylic acid, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ... Authors: Teotico, D.T, Shoichet, B.K. Deposit date: 2009-03-25 Release date: 2009-04-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
3GSG	AmpC beta-lactamase in complex with Fragment-based Inhibitor Descriptor: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... Authors: Teotico, D.T, Shoichet, B.K. Deposit date: 2009-03-26 Release date: 2009-04-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
3GR2	AmpC beta-lactamase in complex with Fragment-based Inhibitor Descriptor: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase Authors: Teotico, D.T, Shoichet, B.K. Deposit date: 2009-03-24 Release date: 2009-04-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
6TZH	ADC-7 in complex with boronic acid transition state inhibitor S06015 Descriptor: Beta-lactamase, GLYCINE, PHOSPHATE ION, ... Authors: Fish, E.R, Powers, R.A, Wallar, B.J. Deposit date: 2019-08-12 Release date: 2020-06-24 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (2.04 Å) Cite: 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
6TZJ	ADC-7 in complex with boronic acid transition state inhibitor ME_096 Descriptor: Beta-lactamase, GLYCINE, [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid Authors: Fish, E.R, Powers, R.A, Wallar, B.J. Deposit date: 2019-08-12 Release date: 2020-06-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
6TZF	ADC-7 in complex with boronic acid transition state inhibitor S17079 Descriptor: 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid, Beta-lactamase Authors: Fish, E.R, Powers, R.A, Wallar, B.J. Deposit date: 2019-08-12 Release date: 2020-06-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.96 Å) Cite: 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
6TZI	ADC-7 in complex with boronic acid transition state inhibitor PFC_001 Descriptor: Beta-lactamase, phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid Authors: Fish, E.R, Powers, R.A, Wallar, B.J. Deposit date: 2019-08-12 Release date: 2020-06-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.744 Å) Cite: 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
8DI7	CMY-2 Descriptor: Beta-lactamase, SULFATE ION Authors: Ahmadvand, P, Call, D.R. Deposit date: 2022-06-28 Release date: 2023-06-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Structural characterization of CMY-2 and its interactions with ampicillin and the cephalosporins - ceftiofur, DFC, DFC-dimer, DFC-cysteine, and nitrocefin To Be Published
6TZG	ADC-7 in complex with boronic acid transition state inhibitor S17083 Descriptor: Beta-lactamase, [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid Authors: Fish, E.R, Powers, R.A, Wallar, B.J. Deposit date: 2019-08-12 Release date: 2020-06-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.816 Å) Cite: 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
6UQS	Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors Descriptor: 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, CHLORIDE ION Authors: Scapin, G. Deposit date: 2019-10-21 Release date: 2019-10-30 Last modified: 2020-01-15 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
6UQT	Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors Descriptor: 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate, Beta-lactamase, CHLORIDE ION Authors: Scapin, G. Deposit date: 2019-10-21 Release date: 2019-10-30 Last modified: 2020-01-15 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
6UQU	Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors Descriptor: Beta-lactamase, CHLORIDE ION, PHENYL BORONIC ACID Authors: Scapin, G. Deposit date: 2019-10-21 Release date: 2019-10-30 Last modified: 2020-01-15 Method: X-RAY DIFFRACTION (1.0902 Å) Cite: Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
6UR3	Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors Descriptor: 1,2-ETHANEDIOL, 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, ... Authors: Scapin, G. Deposit date: 2019-10-22 Release date: 2019-10-30 Last modified: 2020-01-15 Method: X-RAY DIFFRACTION (1.423 Å) Cite: Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
3O87	Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor Descriptor: 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION Authors: Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. Deposit date: 2010-08-02 Release date: 2010-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors J.Med.Chem., 53, 2010

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