5ZFT
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5ZFL
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![BU of 5zfl by Molmil](/molmil-images/mine/5zfl) | Crystal structure of beta-lactamase PenP mutant E166Y | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | Authors: | Pan, X, Zhao, Y. | Deposit date: | 2018-03-06 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis. Sci Rep, 10, 2020
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5ZB7
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![BU of 5zb7 by Molmil](/molmil-images/mine/5zb7) | CTX-M-64 apoenzyme | Descriptor: | Beta-lactamase | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2018-02-10 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.63 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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5ZA2
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![BU of 5za2 by Molmil](/molmil-images/mine/5za2) | Fox-4 beta-lactamase complexed with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ... | Authors: | Nukaga, M, Hoshino, T, Papp-Wallace, K.M, Bonomo, R.A. | Deposit date: | 2018-02-06 | Release date: | 2018-03-07 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Probing the Mechanism of Inactivation of the FOX-4 Cephamycinase by Avibactam Antimicrob. Agents Chemother., 62, 2018
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5XHR
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![BU of 5xhr by Molmil](/molmil-images/mine/5xhr) | Crystal structure of P99 beta-lactamase in complex with a penicillin derivative MPC-1 | Descriptor: | (2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | Authors: | Pan, X, Zhao, Y. | Deposit date: | 2017-04-24 | Release date: | 2017-09-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modified Penicillin Molecule with Carbapenem-Like Stereochemistry Specifically Inhibits Class C beta-Lactamases Antimicrob. Agents Chemother., 61, 2017
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5WAG
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![BU of 5wag by Molmil](/molmil-images/mine/5wag) | ADC-7 in complex with boronic acid transition state inhibitor S06017 | Descriptor: | 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, SUCCINIC ACID | Authors: | Powers, R.A, Wallar, B.J. | Deposit date: | 2017-06-26 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase. ACS Infect Dis, 4, 2018
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5WAF
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![BU of 5waf by Molmil](/molmil-images/mine/5waf) | ADC-7 in complex with boronic acid transition state inhibitor CR192 | Descriptor: | Beta-lactamase, phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid | Authors: | Powers, R.A, Wallar, B.J. | Deposit date: | 2017-06-26 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase. ACS Infect Dis, 4, 2018
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5WAE
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![BU of 5wae by Molmil](/molmil-images/mine/5wae) | ADC-7 in complex with boronic acid transition state inhibitor CR167 | Descriptor: | 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid, Beta-lactamase | Authors: | Powers, R.A, Wallar, B.J. | Deposit date: | 2017-06-26 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase. ACS Infect Dis, 4, 2018
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5WAD
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![BU of 5wad by Molmil](/molmil-images/mine/5wad) | ADC-7 in complex with boronic acid transition state inhibitor CR161 | Descriptor: | Beta-lactamase, PHOSPHATE ION, phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid | Authors: | Powers, R.A, Wallar, B.J. | Deposit date: | 2017-06-26 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase. ACS Infect Dis, 4, 2018
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5WAC
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![BU of 5wac by Molmil](/molmil-images/mine/5wac) | ADC-7 in complex with boronic acid transition state inhibitor CR157 | Descriptor: | Beta-lactamase, phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid | Authors: | Powers, R.A, Wallar, B.J. | Deposit date: | 2017-06-26 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase. ACS Infect Dis, 4, 2018
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5W14
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![BU of 5w14 by Molmil](/molmil-images/mine/5w14) | ADC-7 in complex with boronic acid transition state inhibitor S03043 | Descriptor: | 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid, Beta-lactamase | Authors: | Smolen, K.A, Powers, R.A, Wallar, B.J. | Deposit date: | 2017-06-01 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors. ACS Infect Dis, 4, 2018
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5W13
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5W12
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5VTH
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![BU of 5vth by Molmil](/molmil-images/mine/5vth) | CTX-M-14 P167S:E166A mutant | Descriptor: | Beta-lactamase | Authors: | Hu, L, Patel, M, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2017-05-17 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5VPQ
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5VLE
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![BU of 5vle by Molmil](/molmil-images/mine/5vle) | |
5UL8
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![BU of 5ul8 by Molmil](/molmil-images/mine/5ul8) | |
5UJO
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![BU of 5ujo by Molmil](/molmil-images/mine/5ujo) | |
5UJ4
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![BU of 5uj4 by Molmil](/molmil-images/mine/5uj4) | Crystal structure of the KPC-2 beta-lactamase complexed with hydrolyzed faropenem | Descriptor: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2017-01-16 | Release date: | 2017-04-26 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2). J. Med. Chem., 60, 2017
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5UJ3
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![BU of 5uj3 by Molmil](/molmil-images/mine/5uj3) | Crystal structure of the KPC-2 beta-lactamase complexed with hydrolyzed cefotaxime | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2017-01-16 | Release date: | 2017-04-26 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2). J. Med. Chem., 60, 2017
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5U53
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![BU of 5u53 by Molmil](/molmil-images/mine/5u53) | CTX-M-14 E166A with acylated ceftazidime molecule | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase, NITRATE ION | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2016-12-06 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5TY7
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![BU of 5ty7 by Molmil](/molmil-images/mine/5ty7) | Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) 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, Penicillin-binding protein 4, SODIUM ION, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2016-11-18 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.894 Å) | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus. J. Biol. Chem., 2018
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5TY2
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![BU of 5ty2 by Molmil](/molmil-images/mine/5ty2) | Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) 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, CHLORIDE ION, Penicillin-binding protein 4, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2016-11-18 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus. J. Biol. Chem., 2018
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5TXI
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![BU of 5txi by Molmil](/molmil-images/mine/5txi) | Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with ceftobiprole | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2016-11-16 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus. J. Biol. Chem., 2018
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5TX9
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![BU of 5tx9 by Molmil](/molmil-images/mine/5tx9) | Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftobiprole | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2016-11-16 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus. J. Biol. Chem., 2018
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