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3GR2
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BU of 3gr2 by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
分子名称: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase
著者Teotico, D.T, Shoichet, B.K.
登録日2009-03-24
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
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
3GQZ
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BU of 3gqz by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
分子名称: (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE
著者Teotico, D.T, Shoichet, B.K.
登録日2009-03-24
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
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
4M3K
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BU of 4m3k by Molmil
Structure of a single domain camelid antibody fragment cAb-H7S in complex with the BlaP beta-lactamase from Bacillus licheniformis
分子名称: Beta-lactamase, CHLORIDE ION, Camelid heavy-chain antibody variable fragment cAb-H7S
著者Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M.
登録日2013-08-06
公開日2014-08-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
3GTC
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BU of 3gtc by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
分子名称: (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Teotico, D.T, Shoichet, B.K.
登録日2009-03-27
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
4LV3
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BU of 4lv3 by Molmil
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
4LV1
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BU of 4lv1 by Molmil
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
3GVB
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BU of 3gvb by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
分子名称: (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
著者Teotico, D.T, Shoichet, B.K.
登録日2009-03-30
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3HLC
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BU of 3hlc by Molmil
Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded
分子名称: GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase
著者Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLD
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BU of 3hld by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid
分子名称: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, FORMIC ACID, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLG
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BU of 3hlg by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with lovastatin
分子名称: (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLE
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BU of 3hle by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid
分子名称: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLF
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BU of 3hlf by Molmil
Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with simvastatin
分子名称: Simvastatin acid, Transesterase
著者Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HL9
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BU of 3hl9 by Molmil
Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded
分子名称: Transesterase
著者Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
3HLB
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BU of 3hlb by Molmil
Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative
分子名称: SULFATE ION, Transesterase
著者Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y.
登録日2009-05-27
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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
2WZX
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BU of 2wzx by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02
分子名称: (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
2WK0
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BU of 2wk0 by Molmil
Crystal structure of the class A beta-lactamase BS3 inhibited by 6- beta-iodopenicillanate.
分子名称: (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, BETA-LACTAMASE, CHLORIDE ION, ...
著者Sauvage, E, Zervosen, A, Dive, G, Herman, R, Kerff, F, Amoroso, A, Fonze, E, Pratt, R.F, Luxen, A, Charlier, P.
登録日2009-06-03
公開日2009-12-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate.
J.Am.Chem.Soc., 131, 2009
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
4N9K
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BU of 4n9k by Molmil
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
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
4NK3
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BU of 4nk3 by Molmil
Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
登録日2013-11-12
公開日2014-02-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
8DC1
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BU of 8dc1 by Molmil
Structural and biochemical characterization of L. interrogans Lsa45 reveals a penicillin-binding protein with esterase activity
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IODIDE ION, ...
著者Santos, J.C, Nascimento, A.L.T.O.
登録日2022-06-15
公開日2023-01-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural and biochemical characterization of Leptospira interrogans Lsa45 reveals a penicillin-binding protein with esterase activity.
Process Biochem, 125, 2023

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件を2024-05-15に公開中

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