7TVO
 
 | | Viral AMG chitosanase V-Csn, E157Q mutant | | Descriptor: | GLYCEROL, SULFATE ION, Viral chitosanase V-Csn E157Q 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 (1.15 Å) | | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Nat Commun, 13, 2022
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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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6W5G
 | | Class D beta-lactamase BAT-2 | | Descriptor: | 1,2-ETHANEDIOL, BAT-2 beta-lactamase | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | Deposit date: | 2020-03-13 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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1VOM
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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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6EDM
 | | Structure of apo-CDD-1 beta-lactamase | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2018-08-09 | | Release date: | 2019-08-14 | | Last modified: | 2020-03-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime.
J.Struct.Biol., 208, 2019
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7KEQ
 | | avibactam-CDD-1 6 minute complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | Deposit date: | 2020-10-11 | | Release date: | 2021-01-20 | | Last modified: | 2021-05-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
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1MND
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5CTN
 | | Structure of BPu1 beta-lactamase | | Descriptor: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2015-07-24 | | Release date: | 2015-11-25 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
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5CTM
 | | Structure of BPu1 beta-lactamase | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2015-07-24 | | Release date: | 2015-11-18 | | Last modified: | 2015-12-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
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6V5D
 | | EROS3 RDC and NOE Derived Ubiquitin Ensemble | | Descriptor: | Ubiquitin | | Authors: | Lange, O.F, Lakomek, N.A, Smith, C.A, Griesinger, C, de Groot, B.L. | | Deposit date: | 2019-12-04 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Enhancing NMR derived ensembles with kinetics on multiple timescales.
J.Biomol.Nmr, 74, 2020
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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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6N6X
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6OOD
 | | Structure of the pterocarpan synthase dirigent protein PsPTS1 | | Descriptor: | pterocarpan synthase dirigent protein PsPTS1 | | Authors: | Smith, C.A. | | Deposit date: | 2019-04-23 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Pterocarpan synthase (PTS) structures suggest a common quinone methide-stabilizing function in dirigent proteins and proteins with dirigent-like domains.
J.Biol.Chem., 295, 2020
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6N6U
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6OOC
 | | Structure of the pterocarpan synthase dirigent protein GePTS1 | | Descriptor: | Dirigent protein | | Authors: | Smith, C.A. | | Deposit date: | 2019-04-23 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pterocarpan synthase (PTS) structures suggest a common quinone methide-stabilizing function in dirigent proteins and proteins with dirigent-like domains.
J.Biol.Chem., 295, 2020
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7KER
 | | avibactam-CDD-1 45 minute complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | Deposit date: | 2020-10-12 | | Release date: | 2021-01-20 | | Last modified: | 2021-05-26 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
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7KEP
 | | avibactam-CDD-1 2 minute complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | Deposit date: | 2020-10-11 | | Release date: | 2021-01-20 | | Last modified: | 2021-05-26 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
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7MEE
 | | CDD-1 beta-lactamase in imidazole/MPD 6 minute avibactam complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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7MEC
 | | CDD-1 beta-lactamase in imidazole/MPD 4 minute avibactam complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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7MEF
 | | CDD-1 beta-lactamase in imidazole/MPD 10 minute avibactam complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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7ME9
 | | CDD-1 beta-lactamase in imidazole/MPD 30 seconds avibactam complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, SULFATE ION | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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7MEG
 | | CDD-1 beta-lactamase in imidazole/MPD 30 minute avibactam complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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