7R3R
 
 | | Crystal structure of CTX-M-15 G238C mutant apoenzyme | | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-02-07 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
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7R3Q
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7QOR
 | | Structure of beta-lactamase TEM-171 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M. | | Deposit date: | 2021-12-28 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
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7QNK
 | | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution | | Descriptor: | ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE | | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | | Deposit date: | 2021-12-21 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
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7QLP
 | | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 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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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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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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7PU6
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7PP8
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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: | 2023-10-18 | | 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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