4X55
 
 | | 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
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8SQ8
 | | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-109 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, BICARBONATE ION, Beta-lactamase OXA-109 | | 著者 | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | | 登録日 | 2023-05-04 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants.
J.Mol.Biol., 436, 2024
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8SQ7
 | | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D 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 OXA-82, CITRATE ANION, ... | | 著者 | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | | 登録日 | 2023-05-04 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants.
J.Mol.Biol., 436, 2024
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8SQF
 | | OXA-48 bound to inhibitor CDD-2725 | | 分子名称: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | | 登録日 | 2023-05-04 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
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8SQG
 | | OXA-48 bound to inhibitor CDD-2801 | | 分子名称: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | | 登録日 | 2023-05-04 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
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5WI7
 | | 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
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5WI3
 | | 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
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5WIB
 | | 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
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3HBR
 | | Crystal structure of OXA-48 beta-lactamase | | 分子名称: | 1,2-ETHANEDIOL, OXA-48 | | 著者 | Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D. | | 登録日 | 2009-05-05 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
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3FZC
 | | OXA-24 beta-lactamase complex with SA3-53 inhibitor | | 分子名称: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | | 著者 | Romero, A, Santillana, E. | | 登録日 | 2009-01-24 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 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
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3G4P
 | | 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
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3FV7
 | | OXA-24 beta-lactamase complex with SA4-44 inhibitor | | 分子名称: | (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24 | | 著者 | Bou, G, Santillana, E, Sheri, A, Beceiro, A, Sampson, J.M, Kalp, M, Bethel, C.R, Distler, A.M, Drawz, S.M, Pagadala, S.R, Van den Akker, F, Bonomo, R.A, Romero, A, Buynak, J.D. | | 登録日 | 2009-01-15 | | 公開日 | 2010-02-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 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
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3FYZ
 | | OXA-24 beta-lactamase complex with SA4-17 inhibitor | | 分子名称: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | | 著者 | Romero, A, Santillana, E. | | 登録日 | 2009-01-23 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 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
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1NRF
 | | C-terminal domain of the Bacillus licheniformis BlaR penicillin-receptor | | 分子名称: | REGULATORY PROTEIN BLAR1 | | 著者 | Kerff, F, Charlier, P, Columbo, M.L, Sauvage, E, Brans, A, Frere, J.M, Joris, B, Fonze, E. | | 登録日 | 2003-01-24 | | 公開日 | 2004-01-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of the sensor domain of the BlaR penicillin receptor from Bacillus licheniformis.
Biochemistry, 42, 2003
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1M6K
 | | Structure of the OXA-1 class D beta-lactamase | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase OXA-1 | | 著者 | Sun, T, Nukaga, M, Mayama, K, Braswell, E.H, Knox, J.R. | | 登録日 | 2002-07-16 | | 公開日 | 2003-01-14 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Comparison of beta-lactamases of classes A and D: 1.5A crystallographic structure of the class D OXA-1 oxacillinase
PROTEIN SCI., 12, 2003
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4OH0
 | | Crystal structure of OXA-58 carbapenemase | | 分子名称: | Beta-lactamase OXA-58, CHLORIDE ION | | 著者 | Smith, C.A, Antunes, N.T, Toth, M, Vakulenko, S.B. | | 登録日 | 2014-01-16 | | 公開日 | 2014-02-26 | | 最終更新日 | 2014-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal Structure of Carbapenemase OXA-58 from Acinetobacter baumannii.
Antimicrob.Agents Chemother., 58, 2014
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3IF6
 | | Crystal structure of OXA-46 beta-lactamase from P. aeruginosa | | 分子名称: | 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ... | | 著者 | Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S. | | 登録日 | 2009-07-24 | | 公開日 | 2010-03-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates
Antimicrob.Agents Chemother., 54, 2010
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3ISG
 | | Structure of the class D beta-lactamase OXA-1 in complex with doripenem | | 分子名称: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1 | | 著者 | Powers, R.A. | | 登録日 | 2009-08-25 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The 1.4 A crystal structure of the class D beta-lactamase OXA-1 complexed with doripenem.
Biochemistry, 48, 2009
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5KZH
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5L2F
 | | High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D 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, ACETATE ION, Beta-lactamase, ... | | 著者 | June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T. | | 登録日 | 2016-08-01 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
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8VEQ
 | | 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
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8VBZ
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8VEN
 | | 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
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8VEP
 | | 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
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6ZRI
 | | Crystal structure of OXA-10loop24 in complex with meropenem | | 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, 1,2-ETHANEDIOL, Beta-lactamase | | 著者 | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D. | | 登録日 | 2020-07-13 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
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