5FAT
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![BU of 5fat by Molmil](/molmil-images/mine/5fat) | OXA-48 in complex with FPI-1602 | 分子名称: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | 登録日 | 2015-12-12 | 公開日 | 2016-01-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5MOX
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![BU of 5mox by Molmil](/molmil-images/mine/5mox) | OXA-10 Avibactam complex with bound CO2 | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ... | 著者 | Brem, J. | 登録日 | 2016-12-14 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
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5FDH
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![BU of 5fdh by Molmil](/molmil-images/mine/5fdh) | CRYSTAL STRUCTURE OF OXA-405 BETA-LACTAMASE | 分子名称: | Beta-lactamase, GLYCEROL, SULFATE ION | 著者 | Retailleau, P, Oueslati, S, Marchini, L, Dortet, L, Naas, T, Iorga, B. | 登録日 | 2015-12-16 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum beta-Lactamase Activity. Microorganisms, 8, 2019
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8VBZ
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![BU of 8vbz by Molmil](/molmil-images/mine/8vbz) | |
8VEN
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![BU of 8ven by Molmil](/molmil-images/mine/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
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![BU of 8vep by Molmil](/molmil-images/mine/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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8VEQ
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![BU of 8veq by Molmil](/molmil-images/mine/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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5FAS
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![BU of 5fas by Molmil](/molmil-images/mine/5fas) | OXA-48 in complex with FPI-1523 | 分子名称: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | 登録日 | 2015-12-11 | 公開日 | 2016-01-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5MNU
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![BU of 5mnu by Molmil](/molmil-images/mine/5mnu) | OXA-10 Avibactam complex with bound bromide | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ... | 著者 | Brem, J, McDonough, M, Clifton, I. | 登録日 | 2016-12-13 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
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5E2F
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![BU of 5e2f by Molmil](/molmil-images/mine/5e2f) | Crystal Structure of Beta-lactamase class D from Bacillus subtilis | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase YbxI, CALCIUM ION | 著者 | Kim, Y, Joachimiak, G, Endres, M, Babnigg, G, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2015-10-01 | 公開日 | 2015-10-14 | 最終更新日 | 2022-03-30 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal Structure of Beta-lactamase class D from Bacillus subtilis To Be Published
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5MOZ
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![BU of 5moz by Molmil](/molmil-images/mine/5moz) | OXA-10 Avibactam complex with bound Iodide | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ... | 著者 | Brem, J. | 登録日 | 2016-12-15 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
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5FAQ
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![BU of 5faq by Molmil](/molmil-images/mine/5faq) | OXA-48 in complex with FPI-1465 | 分子名称: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | 登録日 | 2015-12-11 | 公開日 | 2016-01-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5DTT
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![BU of 5dtt by Molmil](/molmil-images/mine/5dtt) | Fragments bound to the OXA-48 beta-lactamase: Compound 3 | 分子名称: | 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | 登録日 | 2015-09-18 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.10000539 Å) | 主引用文献 | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. J.Med.Chem., 59, 2016
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5DTS
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![BU of 5dts by Molmil](/molmil-images/mine/5dts) | |
4S2M
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![BU of 4s2m by Molmil](/molmil-images/mine/4s2m) | Crystal Structure of OXA-163 complexed with iodide in the active site | 分子名称: | Beta-lactamase, IODIDE ION | 著者 | Stojanoski, V, Hu, L, Palzkill, T.G, Prasad, B. | 登録日 | 2015-01-21 | 公開日 | 2015-07-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens. Biochemistry, 54, 2015
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4S2J
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![BU of 4s2j by Molmil](/molmil-images/mine/4s2j) | |
4OH0
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![BU of 4oh0 by Molmil](/molmil-images/mine/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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4S2O
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![BU of 4s2o by Molmil](/molmil-images/mine/4s2o) | OXA-10 in complex with Avibactam | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, COBALT (II) ION | 著者 | King, D.T, Strynadka, N.C.J. | 登録日 | 2015-01-21 | 公開日 | 2015-02-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition. ACS Infect Dis, 1, 2015
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3PAG
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![BU of 3pag by Molmil](/molmil-images/mine/3pag) | Crystal structure of the V130D 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 (2.25 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
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3MBZ
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![BU of 3mbz by Molmil](/molmil-images/mine/3mbz) | 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
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4S2L
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![BU of 4s2l by Molmil](/molmil-images/mine/4s2l) | Crystal Structure of OXA-163 beta-lactamase | 分子名称: | Beta-lactamase, SODIUM ION | 著者 | Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B. | 登録日 | 2015-01-21 | 公開日 | 2015-07-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens. Biochemistry, 54, 2015
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4S2N
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![BU of 4s2n by Molmil](/molmil-images/mine/4s2n) | |
3PAE
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![BU of 3pae by Molmil](/molmil-images/mine/3pae) | 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
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4S2K
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![BU of 4s2k by Molmil](/molmil-images/mine/4s2k) | |
3LCE
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![BU of 3lce by Molmil](/molmil-images/mine/3lce) | 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
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