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4OLD
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BU of 4old by Molmil
Crystal structure of AmpC beta-lactamase in complex with the product form of (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子名称: (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Shoichet, B.K, Barelier, S.
登録日2014-01-23
公開日2014-05-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
4OOY
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BU of 4ooy by Molmil
Avibactam and class C beta-lactamases: mechanism of inhibition, conservation of binding pocket and implications for resistance
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Lahiri, S.D, Olivier, N.B, Alm, R.A.
登録日2014-02-04
公開日2014-08-20
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Avibactam and Class C beta-Lactamases: Mechanism of Inhibition, Conservation of the Binding Pocket, and Implications for Resistance.
Antimicrob.Agents Chemother., 58, 2014
2ZM8
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BU of 2zm8 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, S112A/D370Y Mutant Complexed with 6-Aminohexanoate-dimer
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-14
公開日2009-04-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
2ZMA
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BU of 2zma by Molmil
Crystal Structure of 6-Aminohexanoate-dimer Hydrolase S112A/G181D/H266N/D370Y Mutant with Substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2008-04-14
公開日2009-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Febs J., 276, 2009
2ZC7
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BU of 2zc7 by Molmil
Crystal Structure of Class C beta-Lactamase ACT-1
分子名称: Beta-lactamase ACT-1
著者Shimizu-Ibuka, A, Sakai, H, Galleni, M.
登録日2007-11-02
公開日2008-09-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the plasmid-mediated class C beta-lactamase ACT-1
Acta Crystallogr.,Sect.F, 64, 2008
2ZM7
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BU of 2zm7 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, S112A/G181D Mutant Complexed with 6-Aminohexanoate-dimer
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-14
公開日2009-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Febs J., 276, 2009
2ZM0
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BU of 2zm0 by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, G181D/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S.
登録日2008-04-10
公開日2009-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold.
Febs J., 276, 2009
2ZM2
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BU of 2zm2 by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, A61V/A124V/R187S/F264C/G291R/G338A/D370Y mutant (Hyb-S4M94)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S.
登録日2008-04-10
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
4QD4
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BU of 4qd4 by Molmil
Structure of ADC-68, a Novel Carbapenem-Hydrolyzing Class C Extended-Spectrum -Lactamase from Acinetobacter baumannii
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase ADC-68, CITRIC ACID
著者Hong, M.K, Kang, L.W.
登録日2014-05-13
公開日2015-01-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of ADC-68, a novel carbapenem-hydrolyzing class C extended-spectrum beta-lactamase isolated from Acinetobacter baumannii
Acta Crystallogr.,Sect.D, 70, 2014
2Y91
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Crystal structure of class A beta-lactamase from Bacillus licheniformis BS3 with clavulanic acid
分子名称: 5-HYDROXY-3-OXOPENTANOIC ACID, BETA-LACTAMASE, CITRIC ACID, ...
著者Power, P, Sauvage, E, Herman, R, Kerff, F, Charlier, P.
登録日2011-02-11
公開日2012-02-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel Fragments of Clavulanate Observed in the Structure of the Class a Beta-Lactamase from Bacillus Licheniformis Bs3.
J.Antimicrob.Chemother., 67, 2012
4OLG
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BU of 4olg by Molmil
Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid
分子名称: (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Shoichet, B.K, Barelier, S.
登録日2014-01-23
公開日2014-05-28
最終更新日2014-06-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
2ZJ9
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BU of 2zj9 by Molmil
X-ray crystal structure of AmpC beta-Lactamase (AmpC(D)) from an Escherichia coli with a Tripeptide Deletion (Gly286 Ser287 Asp288) on the H10 Helix
分子名称: AmpC, ISOPROPYL ALCOHOL, SODIUM ION
著者Yamaguchi, Y, Sato, G, Yamagata, Y, Wachino, J, Arakawa, Y, Kurosaki, H.
登録日2008-02-29
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of AmpC beta-lactamase (AmpCD) from an Escherichia coli clinical isolate with a tripeptide deletion (Gly286-Ser287-Asp288) in the H10 helix
Acta Crystallogr.,Sect.F, 65, 2009
2ZLY
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BU of 2zly by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-10
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
2ZM9
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BU of 2zm9 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, A61V/S112A/A124V/R187S/F264C/G291R/G338A/D370Y mutant (Hyb-S4M94) with Substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-14
公開日2009-04-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
3A66
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BU of 3a66 by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N/D370Y mutant with substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOATE-DIMER HYDROLASE, 6-AMINOHEXANOIC ACID, ...
著者Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2009-08-21
公開日2010-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis
To be Published
3A65
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BU of 3a65 by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2009-08-21
公開日2010-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis
To be Published
3B3X
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BU of 3b3x by Molmil
Crystal structure of class A beta-lactamase of Bacillus licheniformis BS3 with aminocitrate
分子名称: 2-(carboxymethyl)-D-aspartic acid, Beta-lactamase
著者Sauvage, E, Herman, R, Kerff, F, Charlier, P.
登録日2007-10-23
公開日2007-11-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Aminopropane-1,2,3-tricarboxylic acid: Synthesis and co-crystallization with the class A beta-lactamase BS3 of Bacillus licheniformis
Bioorg.Med.Chem.Lett., 18, 2008
3BLS
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BU of 3bls by Molmil
AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI
分子名称: AMPC BETA-LACTAMASE, M-AMINOPHENYLBORONIC ACID
著者Usher, K.C, Shoichet, B.K, Remington, S.J.
登録日1998-06-04
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of AmpC beta-lactamase from Escherichia coli bound to a transition-state analogue: possible implications for the oxyanion hypothesis and for inhibitor design.
Biochemistry, 37, 1998
3BM6
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BU of 3bm6 by Molmil
AmpC beta-lactamase in complex with a p.carboxyphenylboronic acid
分子名称: 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid, Beta-lactamase
著者Tondi, D.
登録日2007-12-12
公開日2009-02-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4IVI
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BU of 4ivi by Molmil
Crystal structure of a family VIII carboxylesterase.
分子名称: Carboxylesterase, SULFATE ION
著者An, Y.J, Kim, M.-K, Jeong, C.-S, Cha, S.-S.
登録日2013-01-23
公開日2013-06-19
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the beta-lactamase activity of EstU1, a family VIII carboxylesterase.
Proteins, 81, 2013
4JXG
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BU of 4jxg by Molmil
Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Oxacillin
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Beta-lactamase, PHOSPHATE ION, ...
著者Wallar, B.J, Powers, R.A, Docter, B.E.
登録日2013-03-28
公開日2014-10-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
4JXV
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BU of 4jxv by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[2-(4-CARBOXYPHENYL)ETHYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 5)
分子名称: 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Powers, R.A, Hendershot, J.M.
登録日2013-03-28
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
4KG6
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BU of 4kg6 by Molmil
Crystal Structure of AmpC beta-lactamase N152G Mutant from E. coli
分子名称: Beta-lactamase, PHOSPHATE ION
著者Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
登録日2013-04-28
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
4KZB
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Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine)
分子名称: Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ4
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Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid)
分子名称: 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014

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