5BOH
 
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4MLL
 | | The 1.4 A structure of the class D beta-lactamase OXA-1 K70D complexed with oxacillin | | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1, ... | | 著者 | June, C.M, Vallier, B.C, Bonomo, R.A, Leonard, D.A, Powers, R.A. | | 登録日 | 2013-09-06 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Structural Origins of Oxacillinase Specificity in Class D beta-Lactamases.
Antimicrob.Agents Chemother., 58, 2014
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1H5X
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6B22
 | | Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION | | 著者 | van den Akker, F, Nguyen, N.Q. | | 登録日 | 2017-09-19 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
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3LCE
 | | Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic | | 分子名称: | (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid, Beta-lactamase OXA-10, GLYCEROL, ... | | 著者 | Gretes, M, Strynadka, N.C.J. | | 登録日 | 2010-01-10 | | 公開日 | 2010-03-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Cyclobutanone Analogues of beta-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-beta-Lactamases.
J.Am.Chem.Soc., 132, 2010
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2BG1
 | | Active site restructuring regulates ligand recognition in classA Penicillin-binding proteins (PBPs) | | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SULFATE ION | | 著者 | Macheboeuf, P, Di Guilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A. | | 登録日 | 2004-12-16 | | 公開日 | 2005-03-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins
Proc.Natl.Acad.Sci.USA, 102, 2005
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2C5W
 | | PENICILLIN-BINDING PROTEIN 1A (PBP-1A) ACYL-ENZYME COMPLEX (CEFOTAXIME) FROM STREPTOCOCCUS PNEUMONIAE | | 分子名称: | 1,2-ETHANEDIOL, CEFOTAXIME, C3' cleaved, ... | | 著者 | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | | 登録日 | 2005-11-02 | | 公開日 | 2005-12-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae.
J.Mol.Biol., 355, 2006
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4F94
 | | Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin | | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Beta-lactamase, SULFATE ION | | 著者 | June, C.M, Vallier, B.C, Bonomo, R.A, Leonard, D.A, Powers, R.A. | | 登録日 | 2012-05-18 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin
To be Published
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2C6W
 | | PENICILLIN-BINDING PROTEIN 1A (PBP-1A) FROM STREPTOCOCCUS PNEUMONIAE | | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1A, ZINC ION | | 著者 | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | | 登録日 | 2005-11-14 | | 公開日 | 2005-12-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae.
J.Mol.Biol., 355, 2006
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3MBZ
 | | OXA-24 beta-lactamase complex soaked with 10mM SA4-17 inhibitor for 15min | | 分子名称: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Betalactamase OXA24, SULFATE ION | | 著者 | Sampson, J, van den Akker, F. | | 登録日 | 2010-03-26 | | 公開日 | 2011-03-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase
J.Am.Chem.Soc., 132, 2010
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4GN2
 | | Crystal Structure of OXA-45, a Class D beta-lactamase with extended spectrum activity | | 分子名称: | Oxacillinase | | 著者 | Martin, J.D, Xiong, X.L, Catto, L.E, Toleman, M.A, Walsh, T.R, Clarke, A.R, Spencer, J. | | 登録日 | 2012-08-16 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural and Kinetic Characterization of OXA-45, a Class D beta-Lactamase with Extended Spectrum activity
To be Published
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7T7G
 | | Imipenem-OXA-23 2 minute complex | | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase OXA-23 | | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | 登録日 | 2021-12-15 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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7T7F
 | | MA-1-206-OXA-23 25 minute complex | | 分子名称: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | 登録日 | 2021-12-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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7T7D
 | | MA-1-206-OXA-23 30s complex | | 分子名称: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | 登録日 | 2021-12-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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7T7E
 | | MA-1-206-OXA-23 3 minute complex | | 分子名称: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | 登録日 | 2021-12-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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8PEC
 | | OXA-48_Q5-CAZ. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution | | 分子名称: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION | | 著者 | Leiros, H.-K.S, Frohlich, C. | | 登録日 | 2023-06-13 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Epistasis arises from shifting the rate-limiting step during enzyme evolution of a beta-lactamase.
Nat Catal, 7, 2024
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8PEB
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8PEA
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7VVI
 | | OXA-58 crystal structure of acylated 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, Beta-lactamase, SULFATE ION | | 著者 | Saino, H, Sugiyabu, T, Miyano, M. | | 登録日 | 2021-11-06 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | OXA-58 crystal structure of acylated meropenem complex
to be published
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7VX3
 | | OXA-58 crystal structure of acylated meropenem complex 2 | | 分子名称: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (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, Beta-lactamase, ... | | 著者 | Saino, H, Sugiyabu, T, Miyano, M. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | OXA-58 crystal structure of acylated meropenem complex 2
To be published
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7VX6
 | | OXA-58 crystal structure of acylated meropenem complex 2 | | 分子名称: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (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, Beta-lactamase, ... | | 著者 | Saino, H, Sugiyabu, T, Miyano, M. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | OXA-58 crystal structure of acylated meropenem complex 2
To be published
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6W5E
 | | Class D beta-lactamase BSU-2 | | 分子名称: | 1,2-ETHANEDIOL, BSU-2 beta-lactamase, MALONATE ION | | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | 登録日 | 2020-03-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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6W5F
 | | Class D beta-lactamase BSU-2 delta mutant | | 分子名称: | 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | 登録日 | 2020-03-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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6W5O
 | | Class D beta-lactamase BAT-2 delta mutant | | 分子名称: | 1,2-ETHANEDIOL, BAT-2 Beta-lactamase delta mutant, CITRATE ANION | | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | 登録日 | 2020-03-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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1E3U
 | | MAD structure of OXA10 class D beta-lactamase | | 分子名称: | 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, GOLD (I) CYANIDE ION, ... | | 著者 | Maveyraud, L, Golemi, D, Kotra, L.P, Tranier, S, Vakulenko, S, Mobashery, S, Samama, J.P. | | 登録日 | 2000-06-23 | | 公開日 | 2001-01-12 | | 最終更新日 | 2019-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Insights Into Class D Beta-Lactamases are Revealed by the Crystal Structure of the Oxa10 Enzyme from Pseudomonas Aeruginosa
Structure, 8, 2000
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