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2ZQ7
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BU of 2zq7 by Molmil
Apo structure of Class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Shimamura, T, Nitanai, Y, Uchiyama, T, Ago, H, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Improvement of the Crystal Quality by the Surface Mutations on a Beta-Lactamase Toho-1
To be Published
2ZQA
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BU of 2zqa by Molmil
Cefotaxime acyl-intermediate structure of class a beta-lacta Toho-1 E166A/R274N/R276N triple mutant
Descriptor: Beta-lactamase Toho-1, CEFOTAXIME, C3' cleaved, ...
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
5CTM
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BU of 5ctm by Molmil
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
2ZQ8
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BU of 2zq8 by Molmil
Apo structure of class a beta-lactamase Toho-1 R274N/R276N double mutant
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Shimamura, T, Nitanai, Y, Uchiyama, T, Ago, H, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Improvement of crystal quality by surface mutations of beta-lactamase Toho-1
Acta Crystallogr.,Sect.F, 65, 2009
6C7A
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BU of 6c7a by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
5A92
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BU of 5a92 by Molmil
15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
Descriptor: BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ...
Authors:Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
2ZQ9
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BU of 2zq9 by Molmil
Cephalothin acyl-intermediate structure of class a beta-lactamase Toho-1 E166A/R274N/R276N triple mutant
Descriptor: 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase Toho-1, CEPHALOTHIN, ...
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
2ZQC
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BU of 2zqc by Molmil
Aztreonam acyl-intermediate structure of class a beta-lactam Toho-1 E166A/R274N/R276N triple mutant
Descriptor: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1, SULFATE ION
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
5G18
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BU of 5g18 by Molmil
Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate
Descriptor: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BETA-LACTAMASE CTX-M-97, SULFATE ION
Authors:Vandavasi, V.G, Weiss, K.L, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
Deposit date:2016-03-23
Release date:2016-11-09
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
5KMW
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BU of 5kmw by Molmil
TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
Descriptor: Beta-lactamase Toho-1, OPEN FORM - PENICILLIN G, PENICILLIN G, ...
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Ginell, S.L.
Deposit date:2016-06-27
Release date:2017-03-01
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
6C79
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BU of 6c79 by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
4JF5
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BU of 4jf5 by Molmil
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
5IY2
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BU of 5iy2 by Molmil
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
8PEB
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BU of 8peb by Molmil
OXA-48_Q5. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution
Descriptor: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Leiros, H.-K.S, Frohlich, C.
Deposit date:2023-06-13
Release date:2024-02-14
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Epistasis arises from shifting the rate-limiting step during enzyme evolution of a beta-lactamase.
Nat Catal, 7, 2024
6HZR
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BU of 6hzr by Molmil
Apo structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3
Descriptor: Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2018-10-23
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6HR4
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BU of 6hr4 by Molmil
Apo form of penicillin-binding protein 3 from P. aeruginosa
Descriptor: Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2018-09-26
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Apo form of penicillin-binding protein 3 from P. aeruginosa
To Be Published
2ZQD
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BU of 2zqd by Molmil
Ceftazidime acyl-intermediate structure of class a beta-lact Toho-1 E166A/R274N/R276N triple mutant
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase Toho-1, SULFATE ION
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
6NZ8
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BU of 6nz8 by Molmil
Structure of carbamylated apo OXA-231 carbapenemase
Descriptor: Beta-lactamase OXA-231, CHLORIDE ION, SODIUM ION
Authors:Favaro, D.C, Llontop, E.E, Vasconcelos, F.N, Antunes, V.U, Farah, S.C, Lincopan, N.
Deposit date:2019-02-13
Release date:2020-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Importance of the beta 5-beta 6 Loop for the Structure, Catalytic Efficiency, and Stability of Carbapenem-Hydrolyzing Class D beta-Lactamase Subfamily OXA-143.
Biochemistry, 58, 2019
5A91
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BU of 5a91 by Molmil
15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
4K0W
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BU of 4k0w by Molmil
X-ray crystal structure of OXA-23 A220 duplication clinical variant
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, Beta-lactamase, ...
Authors:Kaitany, K.J, Klinger, N.V, Leonard, D.A, Powers, R.A.
Deposit date:2013-04-04
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
4BD0
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BU of 4bd0 by Molmil
X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1, SULFATE ION
Authors:Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L.
Deposit date:2012-10-04
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.207 Å)
Cite:Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
J.Biol.Chem., 288, 2013
6N6T
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BU of 6n6t by Molmil
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
6W5E
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BU of 6w5e by Molmil
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
7L5V
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BU of 7l5v by Molmil
Crystal Structure of the Class D Beta-lactamase OXA-935 from Pseudomonas aeruginosa, Monoclinic Crystal Form
Descriptor: Beta-lactamase
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-23
Release date:2021-12-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa.
Antimicrob.Agents Chemother., 66, 2022
4OH0
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BU of 4oh0 by Molmil
Crystal structure of OXA-58 carbapenemase
Descriptor: Beta-lactamase OXA-58, CHLORIDE ION
Authors:Smith, C.A, Antunes, N.T, Toth, M, Vakulenko, S.B.
Deposit date:2014-01-16
Release date:2014-02-26
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Carbapenemase OXA-58 from Acinetobacter baumannii.
Antimicrob.Agents Chemother., 58, 2014

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