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7ASS
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OXA-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-MIC Selection Drives Cryptic Evolution of OXA-48
分子名称: Beta-lactamase, CHLORIDE ION, hydrolyzed ceftazidime
著者Frohlich, C, Leiros, H.-K.S.
登録日2020-10-28
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Cryptic beta-Lactamase Evolution Is Driven by Low beta-Lactam Concentrations.
Msphere, 6, 2021
6B22
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BU of 6b22 by Molmil
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
4Y0U
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Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii.
分子名称: 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
登録日2015-02-06
公開日2016-01-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
4Y0O
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Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii.
分子名称: Beta-lactamase
著者Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
登録日2015-02-06
公開日2016-01-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
6I1I
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Crystal structure of TP domain from Escherichia coli penicillin-binding protein 3 in complex with penicillin
分子名称: Peptidoglycan D,D-transpeptidase FtsI,Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
著者Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
登録日2018-10-28
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
1H5X
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BU of 1h5x by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-13 COMPLEXED WITH IMIPENEM
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, SULFATE ION
著者Mayer, C, Pernot, L, Sougakoff, W.
登録日2001-05-29
公開日2002-05-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Acyl-Enzyme Intermediate Oxa-13:Imipenem
To be Published
6W5E
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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
6I5D
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Crystal structure of an OXA-48 beta-lactamase synthetic mutant
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B.
登録日2018-11-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Substrate specificity of an OXA-48 beta-lactamase synthetic mutant
To be published
1H8Z
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Crystal structure of the class D beta-lactamase OXA-13
分子名称: BETA-LACTAMASE, SULFATE ION
著者Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W.
登録日2001-02-17
公開日2001-07-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem
J.Mol.Biol., 310, 2001
1H8Y
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Crystal structure of the class D beta-lactamase OXA-13 in complex with meropenem
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Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W.
登録日2001-02-17
公開日2001-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem
J.Mol.Biol., 310, 2001
3LCE
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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
2BG1
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BU of 2bg1 by Molmil
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
2C5W
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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
2C6W
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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
3MBZ
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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
7JHQ
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OXA-48 bound by Compound 2.3
分子名称: 1,2-ETHANEDIOL, Beta-lactamase OXA-48, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-07-21
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7VVI
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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
7VX3
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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
7VX6
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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
7K5V
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OXA-48 bound by Compound 3.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-09-17
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
3G4P
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OXA-24 beta-lactamase at pH 7.5
分子名称: Beta-lactamase OXA-24
著者Santillana, E, Romero, A.
登録日2009-02-04
公開日2010-02-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 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
7T7G
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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
7T7F
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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
7T7D
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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
7T7E
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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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