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PDB: 592 件

4MLL
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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
4S2J
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OXA-48 in complex with Avibactam at pH 6.5
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者King, D.T, Strynadka, N.C.J.
登録日2015-01-20
公開日2015-02-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2M
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Crystal Structure of OXA-163 complexed with iodide in the active site
分子名称: Beta-lactamase, IODIDE ION
著者Stojanoski, V, Hu, L, Palzkill, T.G, Prasad, B.
登録日2015-01-21
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
5TG4
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OXA-24/40 in Complex with Boronic Acid BA16
分子名称: BICARBONATE ION, Beta-lactamase, D-Glyceraldehyde, ...
著者Powers, R.A, Werner, J.P, Mitchell, J.M.
登録日2016-09-27
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
5TG6
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OXA-24/40 in Complex with Boronic Acid BA4
分子名称: BICARBONATE ION, Beta-lactamase, SULFATE ION, ...
著者Powers, R.A, Werner, J.P, Mitchell, J.M.
登録日2016-09-27
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
5VFD
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Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii
分子名称: (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ...
著者Olivier, N.B, Lahiri, S.
登録日2017-04-07
公開日2017-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii.
Nat Microbiol, 2, 2017
5WI3
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Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to cefotaxime
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A.
登録日2017-07-18
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239.
Biochem. J., 475, 2018
5WIB
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Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to imipenem
分子名称: Imipenem, OXA-239
著者Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A.
登録日2017-07-19
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239.
Biochem. J., 475, 2018
5TG5
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OXA-24/40 in Complex with Boronic Acid BA8
分子名称: BICARBONATE ION, Beta-lactamase, METHANETHIOL, ...
著者Powers, R.A, Werner, J.P, Mitchell, J.M.
登録日2016-09-27
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
5TG7
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OXA-24/40 in Complex with Boronic Acid BA3
分子名称: (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid, BICARBONATE ION, Beta-lactamase, ...
著者Powers, R.A, Werner, J.P, Mitchell, J.M.
登録日2016-09-27
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
5WI7
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Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to doripenem
分子名称: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, OXA-239
著者Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A.
登録日2017-07-18
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239.
Biochem. J., 475, 2018
6RTN
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BU of 6rtn by Molmil
Crystal structure of OXA-10 with VNRX-5133
分子名称: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION
著者Brem, J, Schofield, C.
登録日2019-05-24
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
6RJ7
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BU of 6rj7 by Molmil
Crystal structure of the 19F labelled OXA-48
分子名称: Beta-lactamase, CALCIUM ION, CHLORIDE ION
著者Brem, J, Lohans, C, Schofield, C.
登録日2019-04-26
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73002231 Å)
主引用文献19F NMR Monitoring of Reversible Protein Post-Translational Modifications: Class D beta-Lactamase Carbamylation and Inhibition.
Chemistry, 25, 2019
6SKP
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OXA-10_IPM. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
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, SODIUM ION, ...
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKR
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OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, FORMIC ACID, ...
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKQ
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OXA-655_MEM. Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
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Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6T1H
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BU of 6t1h by Molmil
OXA-51-like beta-lactamase OXA-66
分子名称: Beta-lactamase OXA-66, ZINC ION
著者Takebayashi, Y, Chirgadze, D, Henderson, S, Warburton, P.J, Evans, B.E.
登録日2019-10-04
公開日2020-10-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the OXA-51-like beta-lactamase OXA-66
To Be Published
2RL3
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BU of 2rl3 by Molmil
Crystal structure of the OXA-10 W154H mutant at pH 7
分子名称: 1,2-ETHANEDIOL, Beta-lactamase PSE-2, GLYCEROL, ...
著者Vercheval, L, Kerff, F, Herman, R, Sauvage, E, Guiet, R, Charlier, P, Frere, J.-M, Galleni, M.
登録日2007-10-18
公開日2008-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Critical role of tryptophan 154 for the activity and stability of class D beta-lactamases.
Biochemistry, 48, 2009
2V2F
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Crystal structure of PBP1a from drug-resistant strain 5204 from Streptococcus pneumoniae
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BARIUM ION, PENICILLIN BINDING PROTEIN 1A
著者Job, V, Carapito, R, Vernet, T, Dideberg, O, Dessen, A, Zapun, A.
登録日2007-06-05
公開日2007-12-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Common Alterations in Pbp1A from Resistant Streptococcus Pneumoniae Decrease its Reactivity Toward {Beta}-Lactams: Structural Insights.
J.Biol.Chem., 283, 2008
5CTN
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BU of 5ctn by Molmil
Structure of BPu1 beta-lactamase
分子名称: (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION
著者Smith, C.A, Vakulenko, S.B.
登録日2015-07-24
公開日2015-11-25
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
5CXW
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Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V
分子名称: (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2015-07-29
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
5DVA
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BU of 5dva by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 1
分子名称: 3-(pyridin-4-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.50003886 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5CTM
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Structure of BPu1 beta-lactamase
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2015-07-24
公開日2015-11-18
最終更新日2015-12-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
2WGW
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Crystal structure of the OXA-10 V117T mutant at pH 8.0
分子名称: BETA-LACTAMASE OXA-10, GLYCEROL, SULFATE ION
著者Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
登録日2009-04-27
公開日2010-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2WGV
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Crystal structure of the OXA-10 V117T mutant at pH 6.5 inhibited by a chloride ion
分子名称: BETA-LACTAMASE OXA-10, CHLORIDE ION, CITRIC ACID, ...
著者Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
登録日2009-04-27
公開日2010-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post- Translational Carboxylation of Lys70.
Biochem.J., 432, 2010

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