9C8J
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9C84
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9C83
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | AmpC Beta-lactamase, N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide | Authors: | Liu, F, Shoichet, B.K. | Deposit date: | 2024-06-11 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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9C81
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase | Authors: | Liu, F, Shoichet, B.K, Bassim, V. | Deposit date: | 2024-06-11 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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9C6P
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase | Authors: | Liu, F, Shoichet, B.K. | Deposit date: | 2024-06-08 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.663 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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9BZR
| Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate | Descriptor: | CHLORIDE ION, MALONIC ACID, N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE, ... | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-24 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate To Be Published
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9BZQ
| Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, FORMIC ACID, ... | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-24 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam To Be Published
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9BZN
| High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50 | Descriptor: | FORMIC ACID, SULFATE ION, class A Beta-lactamase, ... | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-24 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50 To Be Published
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8V9H
| GES-5-NA-1-157 complex | Descriptor: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2023-12-08 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase. Acs Infect Dis., 10, 2024
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8V9G
| GES-5-meropenem complex | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, IODIDE ION, ... | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2023-12-08 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase. Acs Infect Dis., 10, 2024
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8TTP
| Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-08-14 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam to be published
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8TN0
| Crystal structure of KPC-44 carbapenemase w/o cryoprotectant | Descriptor: | SULFATE ION, beta-lactamase | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-31 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TMT
| Crystal structure of KPC-44 carbapenemase in complex with vaborbactam | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ... | Authors: | Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-30 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TMR
| Crystal structure of KPC-44 carbapenemase complexed with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-30 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TJM
| Crystal structure of KPC-44 carbapenemase | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-23 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8SJ3
| Beta-lactamase CTX-M-14 E166Y/N170G | Descriptor: | Beta-lactamase CTX-M-14 | Authors: | Judge, A, Palzkill, T, Sankaran, B, Prasad, B.V.V, Hu, L. | Deposit date: | 2023-04-17 | Release date: | 2024-02-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Network of epistatic interactions in an enzyme active site revealed by large-scale deep mutational scanning. Proc.Natl.Acad.Sci.USA, 121, 2024
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8SDV
| Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030 | Descriptor: | 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2023-04-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase. Antimicrob.Agents Chemother., 67, 2023
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8SDT
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8SDS
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8SDR
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8SDN
| Crystal structure of PDC-3 Y221H beta-lactamase | Descriptor: | Beta-lactamase, ISOPROPYL ALCOHOL | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2023-04-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase. Antimicrob.Agents Chemother., 67, 2023
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8SDL
| Crystal structure of PDC-3 beta-lactamase | Descriptor: | Beta-lactamase, IMIDAZOLE, ISOPROPYL ALCOHOL | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2023-04-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase. Antimicrob.Agents Chemother., 67, 2023
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8RLL
| Structure of the apo form of PIB-1 in an Orthorombic space group | Descriptor: | Class C beta-lactamase-related serine hydrolase | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2024-01-03 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | A new type of Class C beta-lactamases defined by PIB-1. A metal-dependent carbapenem-hydrolyzing beta-lactamase, from Pseudomonas aeruginosa: Structural and functional analysis. Int.J.Biol.Macromol., 2024
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8RLK
| Structure of the apo form of PIB-1 in an Orthorombic space group | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Class C beta-lactamase-related serine hydrolase, MAGNESIUM ION, ... | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2024-01-03 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new type of Class C beta-lactamases defined by PIB-1. A metal-dependent carbapenem-hydrolyzing beta-lactamase, from Pseudomonas aeruginosa: Structural and functional analysis. Int.J.Biol.Macromol., 2024
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8RLJ
| Structure of the apo form of PIB-1 in an Orthorombic space group | Descriptor: | Class C beta-lactamase-related serine hydrolase | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2024-01-03 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A new type of Class C beta-lactamases defined by PIB-1. A metal-dependent carbapenem-hydrolyzing beta-lactamase, from Pseudomonas aeruginosa: Structural and functional analysis. Int.J.Biol.Macromol., 2024
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