4R3B
 
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4QY5
 | | Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations | | Descriptor: | Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2014-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
To be Published
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4RVA
 | | A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation | | Descriptor: | BICARBONATE ION, Beta-lactamase TEM | | Authors: | Stojanoski, V, Chow, D.-C, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4397 Å) | | Cite: | A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.
J.Biol.Chem., 290, 2015
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7S5S
 | | CTX-M-15 WT in complex with BLIP WT | | Descriptor: | Beta-lactamase, Beta-lactamase inhibitory protein | | Authors: | Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B. | | Deposit date: | 2021-09-11 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes.
Nat Commun, 13, 2022
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6ITY
 | | CTX-M-64 sulbactam complex | | Descriptor: | ACRYLIC ACID, Beta-lactamase, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2018-11-26 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
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7TB7
 | | Crystal structure of D179N KPC-2 beta-lactamase | | Descriptor: | CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | van den Akker, F, Alsenani, T. | | Deposit date: | 2021-12-21 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
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7TBX
 | | Crystal structure of D179Y KPC-2 beta-lactamase | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | van den Akker, F, Alsenani, T. | | Deposit date: | 2021-12-22 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
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7TC1
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5OYO
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6J2B
 | | CTX-M-64 beta-lactamase S130T sulbactam complex | | Descriptor: | Beta-lactamase, GLYCEROL, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2018-12-31 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
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6J2O
 | | Crystal structure of CTX-M-64 clavulanic acid complex | | Descriptor: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2019-01-02 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
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6J25
 | | CTX-M-64 beta-lactamase mutant-S130T | | Descriptor: | Beta-lactamase | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2018-12-30 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
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6J8Q
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-01-21 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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5NPO
 | | Promiscuous Protein Self-Assembly as a Function of Protein Stability | | Descriptor: | Beta-lactamase, Beta-lactamase TEM, MAGNESIUM ION | | Authors: | Cohen-Khait, R, Dym, O, Hamer-Rogotner, S, Schreiber, G. | | Deposit date: | 2017-04-18 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Promiscuous Protein Binding as a Function of Protein Stability.
Structure, 25, 2017
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7Q0Y
 | | Crystal structure of CTX-M-14 in complex with Bortezomib | | Descriptor: | ACETATE ION, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C. | | Deposit date: | 2021-10-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
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7Q0Z
 | | Crystal structure of CTX-M-14 | | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | | Authors: | Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C. | | Deposit date: | 2021-10-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
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7Q11
 | | Crystal structure of CTX-M-14 in complex with Ixazomib | | Descriptor: | Beta-lactamase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C. | | Deposit date: | 2021-10-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
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5NE1
 | | L2 class A serine-beta-lactamase in complex with cyclic boronate 2 | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL | | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | | Deposit date: | 2017-03-09 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
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5NJ2
 | | Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ... | | Authors: | Tassoni, R, Pannu, N.S, Ubbink, M. | | Deposit date: | 2017-03-27 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
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5NE3
 | | L2 class A serine-beta-lactamase complexed with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | | Deposit date: | 2017-03-09 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
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6GTH
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | | Deposit date: | 2018-06-18 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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6H27
 | | Structure of S70C BlaC from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, BlaC | | Authors: | Tassoni, R, Pannu, N.S, Ubbink, M. | | Deposit date: | 2018-07-13 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
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5KMW
 | | 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
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5KPU
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5KMT
 | | CTX-M9 mutant L48A | | Descriptor: | Beta-lactamase, PHOSPHATE ION, POTASSIUM ION | | Authors: | Latallo, M.J, Faham, S, Kasson, P.M. | | Deposit date: | 2016-06-27 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Predicting allosteric mutants that increase activity of a major antibiotic resistance enzyme.
Chem Sci, 8, 2017
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