4GOG
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![BU of 4gog by Molmil](/molmil-images/mine/4gog) | Crystal structure of the GES-1 imipenem acyl-enzyme complex | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase GES-1, IODIDE ION, ... | Authors: | Smith, C.A, Vakulenko, S.B, Munoz, J. | Deposit date: | 2012-08-20 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases. J.Am.Chem.Soc., 134, 2012
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4GNU
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![BU of 4gnu by Molmil](/molmil-images/mine/4gnu) | Crystal structure of GES-5 carbapenemase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5 | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2012-08-17 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases. J.Am.Chem.Soc., 134, 2012
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8DA2
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![BU of 8da2 by Molmil](/molmil-images/mine/8da2) | Acinetobacter baumannii L,D-transpeptidase | Descriptor: | L,D-transpeptidase family protein | Authors: | Toth, M, Stewart, N.K, Smith, C.A, Vakulenko, S.B. | Deposit date: | 2022-06-12 | Release date: | 2022-09-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The l,d-Transpeptidase Ldt Ab from Acinetobacter baumannii Is Poorly Inhibited by Carbapenems and Has a Unique Structural Architecture. Acs Infect Dis., 8, 2022
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3LEZ
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![BU of 3lez by Molmil](/molmil-images/mine/3lez) | |
8FAJ
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![BU of 8faj by Molmil](/molmil-images/mine/8faj) | OXA-48-NA-1-157 inhibitor 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, Beta-lactamase, CADMIUM ION, ... | Authors: | Smith, C.A, Stewart, N.K, Toth, M, Vakulenko, S.B. | Deposit date: | 2022-11-28 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Exhibits Potent Activity against Klebsiella spp. Isolates Producing OXA-48-Type Carbapenemases. Acs Infect Dis., 9, 2023
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5IY2
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![BU of 5iy2 by Molmil](/molmil-images/mine/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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1YT4
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![BU of 1yt4 by Molmil](/molmil-images/mine/1yt4) | Crystal structure of TEM-76 beta-lactamase at 1.4 Angstrom resolution | Descriptor: | Beta-lactamase TEM | Authors: | Thomas, V.L, Golemi-Kotra, D, Kim, C, Vakulenko, S.B, Mobashery, S, Shoichet, B.K. | Deposit date: | 2005-02-09 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Consequences of the Inhibitor-Resistant Ser130Gly Substitution in TEM beta-Lactamase. Biochemistry, 44, 2005
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6EDM
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![BU of 6edm by Molmil](/molmil-images/mine/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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4ZDX
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![BU of 4zdx by Molmil](/molmil-images/mine/4zdx) | Structure of OXA-51 beta-lactamase | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-lactamase, GLYCEROL | Authors: | Smith, C.A, Antunes, N.T, Stewart, N.K, Frase, H, Toth, M, Kantardjieff, K.A, Vakulenko, S.B. | Deposit date: | 2015-04-20 | Release date: | 2015-06-17 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural Basis for Enhancement of Carbapenemase Activity in the OXA-51 Family of Class D beta-Lactamases. Acs Chem.Biol., 10, 2015
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8V9H
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![BU of 8v9h by Molmil](/molmil-images/mine/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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8V9G
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![BU of 8v9g by Molmil](/molmil-images/mine/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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5CTN
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![BU of 5ctn by Molmil](/molmil-images/mine/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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5F83
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![BU of 5f83 by Molmil](/molmil-images/mine/5f83) | Imipenem complex of the GES-5 C69G mutant | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2015-12-09 | Release date: | 2016-09-07 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Role of the Conserved Disulfide Bridge in Class A Carbapenemases. J.Biol.Chem., 291, 2016
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5F82
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![BU of 5f82 by Molmil](/molmil-images/mine/5f82) | Apo GES-5 C69G mutant | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2015-12-08 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Role of the Conserved Disulfide Bridge in Class A Carbapenemases. J.Biol.Chem., 291, 2016
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5CTM
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![BU of 5ctm by Molmil](/molmil-images/mine/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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4QC6
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![BU of 4qc6 by Molmil](/molmil-images/mine/4qc6) | Crystal structure of aminoglycoside 6'-acetyltransferase-Ie | Descriptor: | (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name), Bifunctional AAC/APH, FORMIC ACID, ... | Authors: | Smith, C.A, Toth, M, Weiss, T.M, Frase, H, Vakulenko, S.B. | Deposit date: | 2014-05-09 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia revealed by crystallographic and small-angle X-ray scattering analysis. Acta Crystallogr.,Sect.D, 70, 2014
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7T7G
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![BU of 7t7g by Molmil](/molmil-images/mine/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
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![BU of 7t7f by Molmil](/molmil-images/mine/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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7T7D
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![BU of 7t7d by Molmil](/molmil-images/mine/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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7T7E
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![BU of 7t7e by Molmil](/molmil-images/mine/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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4QU3
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![BU of 4qu3 by Molmil](/molmil-images/mine/4qu3) | GES-2 ertapenem acyl-enzyme complex | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ... | Authors: | Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B. | Deposit date: | 2014-07-10 | Release date: | 2014-12-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases. Biochemistry, 54, 2015
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3TDV
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![BU of 3tdv by Molmil](/molmil-images/mine/3tdv) | |
3TDW
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![BU of 3tdw by Molmil](/molmil-images/mine/3tdw) | |
6W5E
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![BU of 6w5e by Molmil](/molmil-images/mine/6w5e) | Class D beta-lactamase BSU-2 | Descriptor: | 1,2-ETHANEDIOL, BSU-2 beta-lactamase, MALONATE ION | 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 (1.3 Å) | Cite: | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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6W5G
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![BU of 6w5g by Molmil](/molmil-images/mine/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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