4JF5
 
 | | Structure of OXA-23 at pH 4.1 | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2013-02-27 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
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4JF4
 | | OXA-23 meropenem complex | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Smith, C.A, Vakulenko, S.B, Toth, M. | | Deposit date: | 2013-02-27 | | Release date: | 2013-09-25 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
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4JF6
 | | Structure of OXA-23 at pH 7.0 | | Descriptor: | Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2013-02-27 | | Release date: | 2013-09-25 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
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2GCB
 | | G51S/S52T double mutant of L. casei FPGS | | Descriptor: | Folylpolyglutamate synthase | | Authors: | Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X. | | Deposit date: | 2006-03-13 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
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2GC5
 | | G51S mutant of L. casei FPGS | | Descriptor: | Folylpolyglutamate synthase, SULFATE ION | | Authors: | Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X. | | Deposit date: | 2006-03-13 | | Release date: | 2006-06-27 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
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2GC6
 | | S73A mutant of L. casei FPGS | | Descriptor: | Folylpolyglutamate synthase, SULFATE ION | | Authors: | Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X. | | Deposit date: | 2006-03-13 | | Release date: | 2006-06-27 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
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2GCA
 | | apo form of L. casei FPGS | | Descriptor: | Folylpolyglutamate synthase | | Authors: | Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X. | | Deposit date: | 2006-03-13 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
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1DBI
 | | CRYSTAL STRUCTURE OF A THERMOSTABLE SERINE PROTEASE | | Descriptor: | AK.1 SERINE PROTEASE, CALCIUM ION, SODIUM ION | | Authors: | Smith, C.A, Toogood, H.S, Baker, H.M, Daniel, R.M, Baker, E.N. | | Deposit date: | 1999-11-02 | | Release date: | 1999-11-18 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Calcium-mediated thermostability in the subtilisin superfamily: the crystal structure of Bacillus Ak.1 protease at 1.8 A resolution.
J.Mol.Biol., 294, 1999
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2QPN
 | | GES-1 beta-lactamase | | Descriptor: | Beta-lactamase GES-1, SULFATE ION | | Authors: | Smith, C.A, Caccamo, M, Kantardjieff, K.A, Vakulenko, S. | | Deposit date: | 2007-07-24 | | Release date: | 2008-08-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of GES-1 at atomic resolution: insights into the evolution of carbapenamase activity in the class A extended-spectrum beta-lactamases.
Acta Crystallogr.,Sect.D, 63, 2007
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8V9G
 | | GES-5-meropenem complex | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, IODIDE ION, ... | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase.
Acs Infect Dis., 10, 2024
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8V9H
 | | GES-5-NA-1-157 complex | | Descriptor: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase.
Acs Infect Dis., 10, 2024
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8TH2
 | | Structure of the isoflavene-forming dirigent protein PsPTS2 | | Descriptor: | Dirigent protein | | Authors: | Smith, C.A, Meng, Q, Lewis, N.G, Davin, L.B. | | Deposit date: | 2023-07-13 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dirigent isoflavene-forming PsPTS2: 3D structure, stereochemical, and kinetic characterization comparison with pterocarpan-forming PsPTS1 homolog in pea.
J.Biol.Chem., 300, 2024
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1VOM
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8FTG
 | | Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ... | | Authors: | Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R. | | Deposit date: | 2023-01-12 | | Release date: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
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5IY2
 | | Structure of apo OXA-143 carbapenemase | | Descriptor: | Beta-lactamase OXA-143, GLYCEROL | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2016-03-23 | | Release date: | 2017-08-09 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D beta-lactamases.
Acta Crystallogr D Struct Biol, 73, 2017
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6N6W
 | | OXA-23 mutant F110A/M221A neutral pH form | | Descriptor: | Beta-lactamase oxa23 | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2018-11-27 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
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6N6V
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6N6T
 | | OXA-23 mutant F110A/M221A low pH form | | Descriptor: | Beta-lactamase oxa23, CITRATE ANION | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2018-11-27 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
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6N6Y
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7T7G
 | | Imipenem-OXA-23 2 minute complex | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase OXA-23 | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-05-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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7T7F
 | | MA-1-206-OXA-23 25 minute complex | | Descriptor: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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7T7E
 | | MA-1-206-OXA-23 3 minute complex | | Descriptor: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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7T7D
 | | MA-1-206-OXA-23 30s complex | | Descriptor: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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7TVL
 | | Viral AMG chitosanase V-Csn, apo structure | | Descriptor: | GLYCEROL, SULFATE ION, Viral chitosanase V-Csn | | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-05 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Nat Commun, 13, 2022
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7TVN
 | | Viral AMG chitosanase V-Csn, D148N mutant | | Descriptor: | GLYCEROL, SULFATE ION, Viral chitosanase V-Csn D148N mutant | | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Nat Commun, 13, 2022
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