7PP3
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7PA5
| Complex between the beta-lactamase CMY-2 with an inhibitory nanobody | Descriptor: | Beta-lactamase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Frederic Cawez, F.C, Frederic Kerff, F.K, Moreno Galleni, M.G, Raphael Herman, R.H. | Deposit date: | 2021-07-29 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.184 Å) | Cite: | Development of Nanobodies as Theranostic Agents against CMY-2-Like Class C beta-Lactamases. Antimicrob.Agents Chemother., 67, 2023
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7MQN
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7MDF
| Full-length S95A ClbP bound to N-acyl-D-asparagine analog | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | Authors: | Velilla, J.A, Volpe, M.R, Gaudet, R. | Deposit date: | 2021-04-04 | Release date: | 2022-09-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
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7MDE
| Full-length S95A ClbP | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | Authors: | Velilla, J.A, Volpe, M.R, Gaudet, R. | Deposit date: | 2021-04-04 | Release date: | 2022-09-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
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7MDC
| Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | Authors: | Velilla, J.A, Volpe, M.R, Gaudet, R. | Deposit date: | 2021-04-03 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A small molecule inhibitor prevents gut bacterial genotoxin production. Nat.Chem.Biol., 19, 2023
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7LR9
| Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-16 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal structure of KPC-2 T215P mutant To Be Published
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7LNL
| Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LLH
| KPC-2 F72Y mutant with acylated imipenem | 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, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LLB
| Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed meropenem | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LK8
| Crystal structure of KPC-2 T215P mutant | Descriptor: | Beta-lactamase, SODIUM ION | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-01 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LJK
| Crystal structure of the deacylation deficient KPC-2 F72Y mutant | Descriptor: | Beta-lactamase | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-01-29 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7KCY
| Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) with cefoxitin | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2020-10-07 | Release date: | 2021-06-30 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus. J.Antimicrob.Chemother., 76, 2021
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7KCX
| Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with cefoxitin | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2020-10-07 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus. J.Antimicrob.Chemother., 76, 2021
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7KCW
| Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with nafcillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | Authors: | Alexander, J.A, Strynadka, N.C. | Deposit date: | 2020-10-07 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus. J.Antimicrob.Chemother., 76, 2021
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7KCV
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7K8L
| Beta-lactamase, Unmixed | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Pandey, S, Schmidt, M. | Deposit date: | 2020-09-27 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8000102 Å) | Cite: | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
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7K8K
| Beta-lactamase mixed with Sulbactam, 60ms | Descriptor: | Beta-lactamase, PHOSPHATE ION, SULBACTAM, ... | Authors: | Pandey, S, Schmidt, M. | Deposit date: | 2020-09-27 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
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7K8H
| Beta-lactamase mixed with Ceftriaxone, 50ms | Descriptor: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | Authors: | Pandey, S, Schmidt, M. | Deposit date: | 2020-09-27 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.60006261 Å) | Cite: | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
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7K8F
| Beta-lactamase mixed with Ceftriaxone, 10ms | Descriptor: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | Authors: | Pandey, S, Schmidt, M. | Deposit date: | 2020-09-26 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.60003138 Å) | Cite: | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
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7K8E
| Beta-lactamase mixed with Ceftriaxone, 5ms | Descriptor: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | Authors: | Pandey, S, Schmidt, M. | Deposit date: | 2020-09-26 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.40005636 Å) | Cite: | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
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7K2Y
| Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | Authors: | Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V. | Deposit date: | 2020-09-09 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency. J.Biol.Chem., 295, 2020
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7K2X
| Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase | Descriptor: | Beta-lactamase, GLYCEROL | Authors: | Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V. | Deposit date: | 2020-09-09 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency. J.Biol.Chem., 295, 2020
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7K2W
| Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed cefotaxime | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | Authors: | Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V. | Deposit date: | 2020-09-09 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency. J.Biol.Chem., 295, 2020
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7E9A
| Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S)) | Descriptor: | 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ... | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2021-03-03 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance. Chem.Commun.(Camb.), 57, 2021
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