9C8J
 
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9C84
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9C83
 | | X-ray crystal structure of AmpC beta-lactamase with inhibitor | | 分子名称: | 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 | | 著者 | Liu, F, Shoichet, B.K. | | 登録日 | 2024-06-11 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | 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 | | 分子名称: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase | | 著者 | Liu, F, Shoichet, B.K, Bassim, V. | | 登録日 | 2024-06-11 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
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9C6P
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9BZR
 | | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate | | 分子名称: | CHLORIDE ION, MALONIC ACID, N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE, ... | | 著者 | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2024-05-24 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 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 | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, FORMIC ACID, ... | | 著者 | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2024-05-24 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | 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 | | 分子名称: | FORMIC ACID, SULFATE ION, class A Beta-lactamase, ... | | 著者 | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2024-05-24 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | 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 | | 分子名称: | (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, ... | | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | 登録日 | 2023-12-08 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 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 | | 分子名称: | (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, ... | | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | 登録日 | 2023-12-08 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | 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 | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2023-08-14 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | 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 | | 分子名称: | SULFATE ION, beta-lactamase | | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | | 登録日 | 2023-07-31 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | 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 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ... | | 著者 | Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B. | | 登録日 | 2023-07-30 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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 | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | | 登録日 | 2023-07-30 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | 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 | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase | | 著者 | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | | 登録日 | 2023-07-23 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | 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
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8SDV
 | | Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030 | | 分子名称: | 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | | 著者 | Kumar, V, van den Akker, F. | | 登録日 | 2023-04-07 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | 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 | | 分子名称: | Beta-lactamase, ISOPROPYL ALCOHOL | | 著者 | Kumar, V, van den Akker, F. | | 登録日 | 2023-04-07 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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 | | 分子名称: | Beta-lactamase, IMIDAZOLE, ISOPROPYL ALCOHOL | | 著者 | Kumar, V, van den Akker, F. | | 登録日 | 2023-04-07 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | 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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8R88
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8R7M
 | | CTX-M14 in complex with boric acid and 1,2-diol boric ester | | 分子名称: | BORIC ACID, Beta-lactamase, GLYCEROL, ... | | 著者 | Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C. | | 登録日 | 2023-11-26 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the Beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification
To Be Published
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8QNN
 | | Crystal structure of a Class A beta-lactamase from Nocardia cyriacigeorgica | | 分子名称: | Beta-lactamase, CITRATE ANION | | 著者 | Feuillard, J, Couston, J, Benito, Y, Hodille, E, Dumitrescu, O, Blaise, M. | | 登録日 | 2023-09-27 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Biochemical and structural characterization of a class A beta-lactamase from Nocardia cyriacigeorgica.
Acta Crystallogr.,Sect.F, 80, 2024
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