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PDB: 1012 件
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
5W13
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BU of 5w13 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor SM23
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase
著者Smolen, K.A, Powers, R.A, Wallar, B.J.
登録日2017-06-01
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
5W12
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ADC-7 in complex with boronic acid transition state inhibitor EC04
分子名称: 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase
著者Smolen, K.A, Powers, R.A, Wallar, B.J.
登録日2017-06-01
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 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
1Y54
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BU of 1y54 by Molmil
Crystal structure of the native class C beta-lactamase from Enterobacter cloacae 908R complexed with BRL42715
分子名称: (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID, Beta-lactamase
著者Michaux, C, Charlier, P, Frere, J.-M, Wouters, J.
登録日2004-12-02
公開日2005-03-29
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene)penem, in Complex with Enterobactercloacae 908R beta-Lactamase: Evidence for a Stereoselective Mechanism from Docking Studies
J.Am.Chem.Soc., 127, 2005
5WAE
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BU of 5wae by Molmil
ADC-7 in complex with boronic acid transition state inhibitor CR167
分子名称: 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid, Beta-lactamase
著者Powers, R.A, Wallar, B.J.
登録日2017-06-26
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
6NJK
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BU of 6njk by Molmil
Crystal structure of beta-lactamase from Sulfitobacter sp. EE-36
分子名称: ACETATE ION, beta-lactamase
著者Michalska, K, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-03
公開日2019-01-16
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of beta-lactamase from Sulfitobacter sp. EE-36
To Be Published
7SPN
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BU of 7spn by Molmil
Crystal structure of IS11, a thermophilic esterase
分子名称: IS11
著者Stogios, P.J, Evdokimova, E, Khusnutdinova, A, Yakunin, A.F, Savchenko, A.
登録日2021-11-02
公開日2022-08-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Crystal structure of IS11, a thermophilic esterase
To Be Published
4X68
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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
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
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
9C84
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BU of 9c84 by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase
著者Liu, F, Shoichet, B.K.
登録日2024-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
9C81
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BU of 9c81 by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase
著者Liu, F, Shoichet, B.K, Bassim, V.
登録日2024-06-11
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
9C83
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BU of 9c83 by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: AmpC Beta-lactamase, N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide
著者Liu, F, Shoichet, B.K.
登録日2024-06-11
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
9C6P
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BU of 9c6p by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase
著者Liu, F, Shoichet, B.K.
登録日2024-06-08
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.663 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
9C8J
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BU of 9c8j by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: AmpC Beta-lactamase, N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide
著者Liu, F, Shoichet, B.K.
登録日2024-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
1KE0
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BU of 1ke0 by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-(carboxyvin-2-yl)phenylboronic acid
分子名称: 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID, PHOSPHATE ION, beta-lactamase
著者Powers, R.A, Shoichet, B.K.
登録日2001-11-13
公開日2002-07-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
1KE3
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X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4,4'-biphenyldiboronic acid
分子名称: 4,4'-BIPHENYLDIBORONIC ACID, PHOSPHATE ION, beta-lactamase
著者Powers, R.A, Shoichet, B.K.
登録日2001-11-14
公開日2002-07-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
1KDW
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BU of 1kdw by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-carboxyphenylboronic acid
分子名称: 4-CARBOXYPHENYLBORONIC ACID, PHOSPHATE ION, beta-lactamase
著者Powers, R.A, Shoichet, B.K.
登録日2001-11-13
公開日2002-07-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
1KVL
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BU of 1kvl by Molmil
X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product Forms of Cephalothin
分子名称: 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, ...
著者Beadle, B.M, Trehan, I, Focia, P.J, Shoichet, B.K.
登録日2002-01-27
公開日2002-03-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase.
Structure, 10, 2002
1KDS
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BU of 1kds by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 3-nitrophenylboronic acid
分子名称: 3-NITROPHENYLBORONIC ACID, BETA-LACTAMASE
著者Powers, R.A, Shoichet, B.K.
登録日2001-11-13
公開日2002-07-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
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
4LV1
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AmpC beta-lactamase in complex with [1-(3-chlorophenyl)-1H-pyrazol-4-yl] boronic acid
分子名称: Beta-lactamase, PHOSPHATE ION, [1-(3-chlorophenyl)-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 (1.74 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
6TBW
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Crystal structure of AmpC from E.coli with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-11-04
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
4LV3
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AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid
分子名称: (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, 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 (1.42 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014

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