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4LCM
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BU of 4lcm by Molmil
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014)
分子名称: Transesterase
著者Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y.
登録日2013-06-21
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
1FSY
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BU of 1fsy by Molmil
AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID
分子名称: CEPHALOSPORINASE, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID, PHOSPHATE ION
著者Caselli, E, Powers, R.A, Blasczcak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K.
登録日2000-09-11
公開日2001-03-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
1CI8
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BU of 1ci8 by Molmil
ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI: AN ESTERASE WITH (BETA)-LACTAMASE FOLD.
分子名称: ISOPROPYL ALCOHOL, PROTEIN (CARBOXYLESTERASE)
著者Wagner, U.G, Petersen, E.I, Schwab, H, Kratky, C.
登録日1999-04-08
公開日2001-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献EstB from Burkholderia gladioli: a novel esterase with a beta-lactamase fold reveals steric factors to discriminate between esterolytic and beta-lactam cleaving activity
Protein Sci., 11, 2002
1FR1
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BU of 1fr1 by Molmil
REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS
分子名称: BETA-LACTAMASE
著者Oefner, C, D'Arcy, A, Daly, J.J, Winkler, F.K.
登録日2000-09-07
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis.
Nature, 343, 1990
1FCM
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BU of 1fcm by Molmil
CRYSTAL STRUCTURE OF THE E.COLI AMPC BETA-LACTAMASE MUTANT Q120L/Y150E COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, CLOXACILLIN
分子名称: BETA-LACTAMASE, CLOXACILLIN (OPEN FORM)
著者Patera, A, Blaszczak, L.C, Shoichet, B.K.
登録日2000-07-18
公開日2000-12-04
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
6M5Q
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BU of 6m5q by Molmil
A class C beta-lactamase mutant - Y150F
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase
著者Bae, D.W, Jung, Y.E, Cha, S.S.
登録日2020-03-11
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Novel inhibition mechanism of carbapenems on the ACC-1 class C beta-lactamase.
Arch.Biochem.Biophys., 693, 2020
4KEN
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BU of 4ken by Molmil
Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefoxitin
分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
登録日2013-04-25
公開日2014-10-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
4KG5
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Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime
分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
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2018-09-19
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
6M5H
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BU of 6m5h by Molmil
A class C beta-lactamase mutant - Y150F
分子名称: Beta-lactamase
著者Bae, D.W, Jung, Y.E, Cha, S.S.
登録日2020-03-10
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Novel inhibition mechanism of carbapenems on the ACC-1 class C beta-lactamase.
Arch.Biochem.Biophys., 693, 2020
6M5P
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BU of 6m5p by Molmil
A class C beta-lactamase
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
著者Bae, D.W, Jung, Y.E, Cha, S.S.
登録日2020-03-11
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Novel inhibition mechanism of carbapenems on the ACC-1 class C beta-lactamase.
Arch.Biochem.Biophys., 693, 2020
4KZ6
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BU of 4kz6 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid)
分子名称: (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic 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 (1.68 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZA
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BU of 4kza by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid)
分子名称: 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic 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 (1.6 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ7
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BU of 4kz7 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)
分子名称: (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic 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 (1.43 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ9
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BU of 4kz9 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol)
分子名称: (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, 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 (1.72 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
1GA0
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BU of 1ga0 by Molmil
STRUCTURE OF THE E. CLOACAE GC1 BETA-LACTAMASE WITH A CEPHALOSPORIN SULFONE INHIBITOR
分子名称: 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID, BETA-LACTAMASE, GLYCEROL, ...
著者Crichlow, G.V, Nukaga, M, Buynak, J.D, Knox, J.R.
登録日2000-11-28
公開日2001-06-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibition of class C beta-lactamases: structure of a reaction intermediate with a cephem sulfone.
Biochemistry, 40, 2001
4N9L
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BU of 4n9l by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with meropenem
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase
著者Pan, X, Wong, W, Zhao, Y.
登録日2013-10-21
公開日2014-09-10
最終更新日2022-02-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
6N9K
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Beta-lactamase from Escherichia coli str. Sakai
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ...
著者Osipiuk, J, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-03
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Beta-lactamase from Escherichia coli str. Sakai
to be published
4N9K
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crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Wong, W, Zhao, Y.
登録日2013-10-21
公開日2014-09-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4N92
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BU of 4n92 by Molmil
Crystal structure of beta-lactamse PenP_E166S
分子名称: Beta-lactamase
著者Pan, X, Wong, W, Zhao, Y.
登録日2013-10-19
公開日2014-09-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4N1H
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BU of 4n1h by Molmil
Structure of a single-domain camelid antibody fragment cAb-F11N in complex with the BlaP beta-lactamase from Bacillus licheniformis
分子名称: Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-F11N
著者Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M.
登録日2013-10-04
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
1BSG
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BU of 1bsg by Molmil
BETA-LACTAMASE FROM STREPTOMYCES ALBUS G
分子名称: ACETATE ION, BETA LACTAMASE
著者Fonze, E, Charlier, P, Dideberg, O.
登録日1998-07-20
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献

1GA9
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BU of 1ga9 by Molmil
CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID)
分子名称: 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID, BETA-LACTAMASE, PHOSPHATE ION, ...
著者Tondi, D, Powers, R.A, Caselli, E, Negri, M.C, Blazquez, J, Costi, M.P, Shoichet, B.K.
登録日2000-11-29
公開日2001-07-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase.
Chem.Biol., 8, 2001
1GCE
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STRUCTURE OF THE BETA-LACTAMASE OF ENTEROBACTER CLOACAE GC1
分子名称: BETA-LACTAMASE
著者Crichlow, G.V, Kuzin, A.P, Nukaga, M, Sawai, T, Knox, J.R.
登録日1999-05-17
公開日1999-08-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the extended-spectrum class C beta-lactamase of Enterobacter cloacae GC1, a natural mutant with a tandem tripeptide insertion.
Biochemistry, 38, 1999
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
4NET
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BU of 4net by Molmil
Crystal structure of ADC-1 beta-lactamase
分子名称: AmpC, GLYCEROL, NITRATE ION
著者Bhattacharya, M, Toth, M, Antunes, N.T, Smith, C.A, Vakulenko, S.B.
登録日2013-10-30
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the extended-spectrum class C beta-lactamase ADC-1 from Acinetobacter baumannii.
Acta Crystallogr.,Sect.D, 70, 2014

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