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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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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8PEC
 | | 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 | | 最終更新日 | 2024-06-12 | | 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 of a beta-lactamase.
Nat Catal, 7, 2024
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8PEB
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8PEA
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5TG6
 | | 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
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8QNZ
 | | 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
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5TG5
 | | 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
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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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8RTZ
 | | The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor | | 分子名称: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Bicyclic peptide inhibitor, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Newman, H, Rowland, C.E, Dods, R, Lewis, N, Stanway, S.J, Bellini, D, Beswick, P. | | 登録日 | 2024-01-29 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery and chemical optimisation of a Potent, Bi-cyclic (Bicycle) Antimicrobial Inhibitor of Escherichia coli PBP3
To Be Published
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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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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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5TG4
 | | 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
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5TG7
 | | 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
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5VFD
 | | 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
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1H8Z
 | | Crystal structure of the class D beta-lactamase OXA-13 | | 分子名称: | BETA-LACTAMASE, SULFATE ION | | 著者 | Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W. | | 登録日 | 2001-02-17 | | 公開日 | 2001-07-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem
J.Mol.Biol., 310, 2001
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1H5X
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1H8Y
 | | Crystal structure of the class D beta-lactamase OXA-13 in complex 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, BETA-LACTAMASE, SULFATE ION | | 著者 | Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W. | | 登録日 | 2001-02-17 | | 公開日 | 2001-07-12 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem
J.Mol.Biol., 310, 2001
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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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1FOF
 | | 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
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8VBZ
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