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PDB: 592 件

5FQ9
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Crystal structure of the OXA10 with 1C
分子名称: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ...
著者Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J.
登録日2015-12-08
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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
2HP9
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Crystal Structure of the OXA-10 W154A mutant at pH 6.0
分子名称: Beta-lactamase PSE-2, SULFATE ION
著者Kerff, F, Falzone, C, Herman, R, Sauvage, E, Charlier, P.
登録日2006-07-17
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Critical role of tryptophan 154 for the activity and stability of class D beta-lactamases.
Biochemistry, 48, 2009
6XJ3
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Crystal structure of Class D beta-lactamase from Klebsiella quasipneumoniae in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-22
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Class D beta-lactamase from Klebsiella quasipneumoniae
To Be Published
6XQV
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Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae in a pre-acylation complex with ceftriaxone
分子名称: CHLORIDE ION, Ceftriaxone, Probable peptidoglycan D,D-transpeptidase PenA, ...
著者Fenton, B.A, Zhou, P, Davies, C.
登録日2020-07-10
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQZ
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Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 7.5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidoglycan D,D-transpeptidase PenA, ...
著者Fenton, B.A, Zhou, P, Davies, C.
登録日2020-07-10
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQY
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Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 9.5
分子名称: CHLORIDE ION, Probable peptidoglycan D,D-transpeptidase PenA
著者Fenton, B.A, Zhou, P, Davies, C.
登録日2020-07-10
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQX
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Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5
分子名称: 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION
著者Fenton, B.A, Zhou, P, Davies, C.
登録日2020-07-10
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
3Q7V
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Beta-Lactam-Sensor Domain of BlaR1 (Apo) from Staphylococcus Aureus with Carboxylated Lys392
分子名称: Beta-lactamase regulatory protein BlaR1, GLYCEROL, SULFATE ION
著者Borbulevych, O.Y, Mobashery, S, Baker, B.M.
登録日2011-01-05
公開日2011-06-29
最終更新日2013-01-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
6XQR
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OXA-48 bound by Compound 2.2
分子名称: Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-07-10
公開日2021-12-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 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
4WMC
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OXA-48 covalent complex with Avibactam inhibitor
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE
著者Mangani, S, Benvenuti, M, Docquier, J.D.
登録日2014-10-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
3LO7
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Crystal structure of PBPA from Mycobacterium tuberculosis
分子名称: Penicillin-binding protein A
著者Fedarovich, A, Davies, C.
登録日2010-02-03
公開日2010-03-23
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Unusual conformation of the SxN motif in the crystal structure of penicillin-binding protein A from Mycobacterium tuberculosis.
J.Mol.Biol., 398, 2010
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
2IWB
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MecR1 unbound extracellular antibiotic-sensor domain.
分子名称: GLYCEROL, METHICILLIN RESISTANCE MECR1 PROTEIN, NICKEL (II) ION, ...
著者Marrero, A, Mallorqui-Fernandez, G, Guevara, T, Garcia-Castellanos, R, Gomis-Ruth, F.X.
登録日2006-06-27
公開日2006-07-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unbound and Acylated Structures of the Mecr1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System that Triggers Methicillin Resistance.
J.Mol.Biol., 361, 2006
4WM9
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Acinetobacter baumanii OXA-24 complex with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Mangani, S, Benvenuti, M, Docquier, J.-D.
登録日2014-10-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
4WZ5
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Crystal structure of P. aeruginosa OXA10
分子名称: Beta-lactamase OXA-10, CARBON DIOXIDE, SULFATE ION, ...
著者Ferguson, A.D.
登録日2014-11-18
公開日2015-08-05
最終更新日2016-09-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
Acs Infect Dis., 1, 2015
4X55
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Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime
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 OXA-225
著者Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
登録日2014-12-04
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
4X53
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Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Aztreonam
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BICARBONATE ION, Class D beta-lactamase OXA-160
著者Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
登録日2014-12-04
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
4X56
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Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Class D beta-lactamase OXA-160
著者Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
登録日2014-12-04
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
5HAQ
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OXa-48 beta-lactamase mutant - S70G
分子名称: Beta-lactamase, CADMIUM ION, FORMIC ACID
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
2JC7
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The crystal structure of the carbapenemase OXA-24 reveals new insights into the mechanism of carbapenem-hydrolysis
分子名称: BETA-LACTAMASE OXA-24, SULFATE ION
著者Santillana, E, Romero, A.
登録日2006-12-20
公開日2007-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Carbapenemase Oxa-24 Reveals Insights Into the Mechanism of Carbapenem Hydrolysis.
Proc.Natl.Acad.Sci.USA, 104, 2007
2IWD
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Oxacilloyl-acylated MecR1 extracellular antibiotic-sensor domain.
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, Methicillin resistance mecR1 protein
著者Marrero, A, Mallorqui-Fernandez, G, Guevara, T, Garcia-Castellanos, R, Gomis-Ruth, F.X.
登録日2006-06-27
公開日2006-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Unbound and Acylated Structures of the Mecr1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System that Triggers Methicillin Resistance.
J.Mol.Biol., 361, 2006
2IWC
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Benzylpenicilloyl-acylated MecR1 extracellular antibiotic-sensor domain.
分子名称: METHICILLIN RESISTANCE MECR1 PROTEIN, OPEN FORM - PENICILLIN G
著者Marrero, A, Mallorqui-Fernandez, G, Guevara, T, Garcia-Castellanos, R, Gomis-Ruth, F.X.
登録日2006-06-27
公開日2006-07-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unbound and Acylated Structures of the Mecr1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System that Triggers Methicillin Resistance.
J.Mol.Biol., 361, 2006
5HAP
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OXA-48 beta-lactamase - S70A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HFO
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CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE
分子名称: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
著者Retailleau, P, Oueslati, S, Cisse, C, Nordmann, P, Naas, T, Iorga, B.
登録日2016-01-07
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Role of Arginine 214 in the Substrate Specificity of OXA-48.
Antimicrob.Agents Chemother., 64, 2020

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