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2BG1
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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2019-10-16
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
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
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
7T7G
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BU of 7t7g by Molmil
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
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
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
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
1E4D
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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
1EWZ
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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
8PEA
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BU of 8pea by Molmil
OXA-48_F72L. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution
分子名称: Beta-lactamase, CHLORIDE ION
著者Leiros, H.-K.S, Frohlich, C.
登録日2023-06-13
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution.
To Be Published, 2024
8PEC
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BU of 8pec by Molmil
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
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.
To Be Published, 2024
8PEB
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OXA-48_Q5. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution
分子名称: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Leiros, H.-K.S, Frohlich, C.
登録日2023-06-13
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution.
To Be Published, 2024
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
8QNZ
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Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
分子名称: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2023-09-27
公開日2023-11-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Acs Cent.Sci., 9, 2023
1XA1
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BU of 1xa1 by Molmil
Crystal structure of the sensor domain of BlaR1 from Staphylococcus aureus in its apo form
分子名称: PHOSPHATE ION, PYROPHOSPHATE 2-, Regulatory protein blaR1
著者Wilke, M.S, Hills, T.L, Zhang, H.Z, Chambers, H.F, Strynadka, N.C.
登録日2004-08-24
公開日2004-09-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the Apo and penicillin-acylated forms of the BlaR1 beta-lactam sensor of Staphylococcus aureus.
J.Biol.Chem., 279, 2004
1XA7
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Crystal structure of the benzylpenicillin-acylated BlaR1 sensor domain from Staphylococcus aureus
分子名称: OPEN FORM - PENICILLIN G, Regulatory protein BlaR1
著者Wilke, M.S, Hills, T.L, Zhang, H.Z, Chambers, H.F, Strynadka, N.C.
登録日2004-08-25
公開日2004-09-21
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of the Apo and penicillin-acylated forms of the BlaR1 beta-lactam sensor of Staphylococcus aureus.
J.Biol.Chem., 279, 2004
1XKZ
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Crystal structure of the acylated beta-lactam sensor domain of Blar1 from S. aureus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACYLATED CEFTAZIDIME, Regulatory protein blaR1, ...
著者Birck, C, Cha, J.Y, Cross, J, Schulze-Briese, C, Meroueh, S.O, Schlegel, H.B, Mobashery, S, Samama, J.-P.
登録日2004-09-30
公開日2004-11-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献X-ray crystal structure of the acylated beta-lactam sensor domain of BlaR1 from Staphylococcus aureus and the mechanism of receptor activation for signal transduction
J.Am.Chem.Soc., 126, 2004
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
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2023-11-15
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
8CUL
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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2023-11-15
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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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2023-11-15
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
8EP6
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Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in complex with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, ACETIC ACID, Beta-lactamase Class D Cpin_0907
著者Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-05
公開日2022-10-19
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in the complex with Avibactam.
To Be Published

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