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8VEP
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BU of 8vep by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 acylated by piperacillin
分子名称: DI(HYDROXYETHYL)ETHER, Piperacillin (Open Form), Probable peptidoglycan D,D-transpeptidase PenA
著者Stratton, C.M, Bala, S, Davies, C.
登録日2023-12-20
公開日2024-03-20
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024
8VEQ
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BU of 8veq by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with azlocillin
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid, Probable peptidoglycan D,D-transpeptidase PenA
著者Stratton, C, Bala, S, Davies, C.
登録日2023-12-20
公開日2024-03-20
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024
8VBZ
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BU of 8vbz by Molmil
Crystal structure of the transpeptidase domain of a S310A mutant of PBP2 from Neisseria gonorrhoeae strain H041
分子名称: Probable peptidoglycan D,D-transpeptidase PenA
著者Stratton, C, Bala, S, Davies, C.
登録日2023-12-13
公開日2024-03-20
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024
8VEN
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BU of 8ven by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with cefoperazone
分子名称: (2R,4R)-2-[(1R)-1-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methylidene-1,3-thiazinane-4-carboxylic acid, Probable peptidoglycan D,D-transpeptidase PenA
著者Stratton, C, Bala, S, Davies, C.
登録日2023-12-20
公開日2024-03-20
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024
4GN2
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BU of 4gn2 by Molmil
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
1E4D
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BU of 1e4d by Molmil
Structure of OXA10 beta-lactamase at pH 8.3
分子名称: 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, SULFATE ION
著者Maveyraud, L, Golemi, D, Kotra, L.P, Tranier, S, Vakulenko, S, Mobashery, S, Samama, J.P.
登録日2000-07-03
公開日2001-01-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 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
1E3U
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BU of 1e3u by Molmil
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
4F94
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BU of 4f94 by Molmil
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
1FOF
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BU of 1fof by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10
分子名称: BETA LACTAMASE OXA-10, COBALT (II) ION, SULFATE ION
著者Paetzel, M, Danel, F, de Castro, L, Mosimann, S.C, Page, M.G.P, Strynadka, N.C.J.
登録日2000-08-28
公開日2000-10-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the class D beta-lactamase OXA-10.
Nat.Struct.Biol., 7, 2000
4JF5
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BU of 4jf5 by Molmil
Structure of OXA-23 at pH 4.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION
著者Smith, C.A, Vakulenko, S.B.
登録日2013-02-27
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
1EWZ
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BU of 1ewz by Molmil
CRYSTAL STRUCTURE OF THE OXA-10 BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA
分子名称: BETA LACTAMASE OXA-10
著者Golemi, D, Maveyraud, L, Vakulenko, S, Tranier, S, Ishiwata, A, Kotra, L.P, Samama, J.P, Mobashery, S.
登録日2000-04-28
公開日2000-11-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The First Structural and Mechanistic Insights for Class D beta-Lactamases: Evidence for a Novel Catalytic Process for Turnover of beta-Lactam Antibiotics
J.Am.Chem.Soc., 122, 2000
4IED
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BU of 4ied by Molmil
Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Class D beta-lactamase, ...
著者Mangani, S, Benvenuti, M, Docquier, J.D.
登録日2012-12-13
公開日2014-01-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum
To be Published
3LCE
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BU of 3lce by Molmil
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
3LO7
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BU of 3lo7 by Molmil
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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BU of 3mbz by Molmil
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
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
8CUL
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BU of 8cul by Molmil
Xray ray crystal structure of OXA-24/40 in complex with CR167
分子名称: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase
著者Fernando, M.C, Wallar, B.J, Powers, R.A.
登録日2022-05-17
公開日2023-04-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
8CUO
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BU of 8cuo by Molmil
X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e
分子名称: 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION
著者Fernando, M.C, Wallar, B.J, Powers, R.A.
登録日2022-05-17
公開日2023-04-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
8CUM
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BU of 8cum by Molmil
X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d
分子名称: 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION
著者Fernando, M.C, Wallar, B.J, Powers, R.A.
登録日2022-05-17
公開日2023-04-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
3PAE
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BU of 3pae by Molmil
Crystal structure of the K84D mutant of OXA-24/40 in complex with 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, Beta-lactamase, SULFATE ION
著者Powers, R.A, Leonard, D.A, Schneider, K.D.
登録日2010-10-19
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem.
J.Mol.Biol., 406, 2011
6PSG
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BU of 6psg by Molmil
Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem
分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ...
著者Akhtar, A, Chen, Y.
登録日2019-07-12
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6PTU
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Crystal Structure of Class D Beta-lactamase OXA-48 with Imipenem
分子名称: CHLORIDE ION, Class D Carbapenemase OXA-48, Imipenem
著者Akhtar, A, Chen, Y.
登録日2019-07-16
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6PXX
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BU of 6pxx by Molmil
Class D beta-lactamase in complex with beta-lactam antibiotic
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, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者van den Akker, F, Kumar, V.
登録日2019-07-28
公開日2019-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of The OXA-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem.
Antibiotics, 8, 2019
6PT5
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Crystal Structure of Class D Beta-lactamase OXA-48 with Cefoxitin
分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48
著者Akhtar, A, Chen, Y.
登録日2019-07-14
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6PT1
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Crystal Structure of Class D Beta-lactamase OXA-48 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, CHLORIDE ION, Class D Carbapenemase OXA-48, ...
著者Akhtar, A, Chen, Y.
登録日2019-07-14
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020

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