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7ATL
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BU of 7atl by Molmil
EstCE1, a hydrolase with promiscuous acyltransferase activity
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ...
著者Palm, G.J, Lammers, M, Berndt, L.
登録日2020-10-30
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.478 Å)
主引用文献Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases.
Angew.Chem.Int.Ed.Engl., 60, 2021
7PA5
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BU of 7pa5 by Molmil
Complex between the beta-lactamase CMY-2 with an inhibitory nanobody
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
著者Frederic Cawez, F.C, Frederic Kerff, F.K, Moreno Galleni, M.G, Raphael Herman, R.H.
登録日2021-07-29
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.184 Å)
主引用文献Development of Nanobodies as Theranostic Agents against CMY-2-Like Class C beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
6I30
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BU of 6i30 by Molmil
Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C
分子名称: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301
著者Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J.
登録日2018-11-02
公開日2019-02-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates.
Biochim Biophys Acta Gen Subj, 1863, 2019
7Y3Z
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BU of 7y3z by Molmil
Structure of a novel carboxylesterase FEH from Acinetobacter sp. DL-2
分子名称: Fenoxaprop-p-ethyl hydrolase
著者Huang, Y, Liu, W.D, Zhang, Y.J, Duan, Y.J, Lu, M.L.
登録日2022-06-13
公開日2023-07-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a novel carboxylesterase FEH from Acinetobacter sp. DL-2
To Be Published
5TGF
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BU of 5tgf by Molmil
Crystal structure of putative beta-lactamase from Bacteroides dorei DSM 17855
分子名称: CALCIUM ION, GLYCEROL, Uncharacterized protein
著者Nocek, B, Hatzos-Skintges, C, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2016-09-27
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of a beta-lactamase from Bacteroides dorei DSM 17855
To Be Published
4XUX
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BU of 4xux by Molmil
Structure of ampC bound to RPX-7009 at 1.75 A
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ...
著者Clifton, M.C, Abendroth, J.
登録日2015-01-26
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
3RJU
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BU of 3rju by Molmil
Crystal Structure of Beta-lactamase/D-alanine Carboxypeptidase from Yersinia pestis complexed with citrate
分子名称: Beta-lactamase/D-alanine Carboxypeptidase, CITRIC ACID, GLYCEROL
著者Kim, Y, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-04-15
公開日2011-04-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Beta-lactamase/D-alanine Carboxypeptidase from Yersinia pestis complexed with citrate
To be Published
3S22
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BU of 3s22 by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with an inhibitor
分子名称: Beta-lactamase, CHLORIDE ION, [(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
著者Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
登録日2011-05-16
公開日2011-06-29
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
4LV0
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BU of 4lv0 by Molmil
AmpC beta-lactamase in complex with m-aminophenyl boronic acid
分子名称: Beta-lactamase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV2
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BU of 4lv2 by Molmil
AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid
分子名称: Beta-lactamase, PHOSPHATE ION, [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
6FM7
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BU of 6fm7 by Molmil
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Pozzi, C, De Luca, F, Benvenuti, M, Di Pisa, F, Docquier, J.D, Mangani, S.
登録日2018-01-30
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
6G9T
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BU of 6g9t by Molmil
CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE
分子名称: Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Zavala, A, Retailleau, P, Naas, T, Iorga, B.
登録日2018-04-11
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant.
Acs Infect Dis., 5, 2019
6FM6
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BU of 6fm6 by Molmil
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes
分子名称: Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL
著者Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2018-01-30
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
4WBG
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BU of 4wbg by Molmil
Crystal structure of class C beta-lactamase Mox-1 covalently complexed with aztorenam
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, ACETATE ION, Beta-lactamase, ...
著者Oguri, T, Shimizu-ibuka, A, Ishii, Y.
登録日2014-09-03
公開日2015-07-01
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational Change Observed in the Active Site of Class C beta-Lactamase MOX-1 upon Binding to Aztreonam
Antimicrob.Agents Chemother., 59, 2015
4X68
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BU of 4x68 by Molmil
Crystal Structure of OP0595 complexed with AmpC
分子名称: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, NICKEL (II) ION
著者Yamada, M, Watanabe, T.
登録日2014-12-07
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer'
J.Antimicrob.Chemother., 70, 2015
4WZ4
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BU of 4wz4 by Molmil
Crystal structure of P. aeruginosa AmpC
分子名称: Beta-lactamase, GLYCEROL, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
著者Ferguson, A.D.
登録日2014-11-18
公開日2015-08-05
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
4WYY
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BU of 4wyy by Molmil
Crystal Structure of P. aeruginosa AmpC
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Ferguson, A.D.
登録日2014-11-18
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
8JB7
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BU of 8jb7 by Molmil
Crystal structure of CMY-185
分子名称: Beta-lactamase, SULFATE ION
著者Kawai, A, Doi, Y.
登録日2023-05-08
公開日2023-12-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
8JB8
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BU of 8jb8 by Molmil
Crystal structure of CMY-185 complex with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Kawai, A, Doi, Y.
登録日2023-05-08
公開日2023-12-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
2P9V
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BU of 2p9v by Molmil
Structure of AmpC beta-lactamase with cross-linked active site after exposure to small molecule inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION
著者Babaoglu, K, Wyrembak, P.N, Pelto, R.B, Shoichet, B.K, Pratt, R.F.
登録日2007-03-26
公開日2007-08-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献O-Aryloxycarbonyl Hydroxamates: New beta-Lactamase Inhibitors That Cross-Link the Active Site.
J.Am.Chem.Soc., 129, 2007
2PU4
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BU of 2pu4 by Molmil
AmpC beta-lacamase with bound covalent oxadiazole inhibitor
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Babaoglu, K, Shoichet, B.K.
登録日2007-05-08
公開日2008-04-15
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
2PU2
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BU of 2pu2 by Molmil
AmpC beta-lactamase with bound Phthalamide inhibitor
分子名称: 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION
著者Babaoglu, K, Shoichet, B.K.
登録日2007-05-08
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
2Q9M
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BU of 2q9m by Molmil
4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity
分子名称: (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase
著者Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T.
登録日2007-06-13
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
2Q9N
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BU of 2q9n by Molmil
4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity
分子名称: (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase
著者Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T.
登録日2007-06-13
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
3LY4
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BU of 3ly4 by Molmil
Crystal Structure of fluorophore-labeled Class A -lactamase PenP-E166Cb in complex with penicillin G
分子名称: Beta-lactamase, OPEN FORM - PENICILLIN G
著者Zhao, Y.X, Leung, Y.C, Wong, W.T.
登録日2010-02-26
公開日2011-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of fluorophore-labeled Class A -lactamase PenP-E166Cb in complex with penicillin G
To be Published

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