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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
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
3GRJ
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BU of 3grj by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
分子名称: 2-phenyl-1H-imidazole-4-carboxylic acid, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ...
著者Teotico, D.T, Shoichet, B.K.
登録日2009-03-25
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GSG
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BU of 3gsg by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
分子名称: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
著者Teotico, D.T, Shoichet, B.K.
登録日2009-03-26
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
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
3GV9
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BU of 3gv9 by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
分子名称: 3-(acetylamino)thiophene-2-carboxylic acid, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ...
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2024-02-21
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
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
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
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
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
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
3HLW
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BU of 3hlw by Molmil
CTX-M-9 S70G in complex with cefotaxime
分子名称: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase
著者Delmas, J, Leyssne, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R.
登録日2009-05-28
公開日2010-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
3HRE
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BU of 3hre by Molmil
X-ray crystallographic structure of CTX-M-9 S70G
分子名称: CTX-M-9 extended-spectrum beta-lactamase, PHOSPHATE ION
著者Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R.
登録日2009-06-09
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
3HUM
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BU of 3hum by Molmil
Crystal structure of Penicillin binding protein 4 from Staphylococcus aureus COL in complex with Cefotaxime
分子名称: (2R)-2-[(1R)-1-({[(2R)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 4
著者Navratna, V, Gopal, B.
登録日2009-06-15
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the role of Staphylococcus aureus Penicillin Binding Protein 4 in antimicrobial resistance
J.Bacteriol., 2009
3HUN
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BU of 3hun by Molmil
Crystal structure of Penicillin binding protein 4 from Staphylococcus aureus COL in complex with Ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4
著者Navratna, V, Gopal, B.
登録日2009-06-15
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the role of Staphylococcus aureus Penicillin Binding Protein 4 in antimicrobial resistance
J.Bacteriol., 2009
3HUO
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BU of 3huo by Molmil
X-ray crystallographic structure of CTX-M-9 S70G in complex with benzylpenicillin
分子名称: (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase, PENICILLIN G
著者Delmas, J, Leyssene, D, Dubois, D, Robin, F, Bonnet, R.
登録日2009-06-15
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Dynamic view of the early and late steps of the catalytic mechanism mediated by the emerging enzymes CTX-M.
To be Published
3HVF
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BU of 3hvf by Molmil
X-ray crystallographic structure of CTX-M-9 S70G in complex with hydrolyzed benzylpenicillin
分子名称: (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase
著者Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R.
登録日2009-06-16
公開日2010-05-26
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
3IQA
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BU of 3iqa by Molmil
Crystal Structure of BlaC covalently bound with Doripenem
分子名称: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2009-08-19
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
3IWI
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BU of 3iwi by Molmil
X-ray crystal structure of the extended-spectrum AmpC omega loop insertion (H210AAA) mutant beta-lactamase at 1.64 Angstrom resolution
分子名称: Beta-lactamase, PHOSPHATE ION
著者Shoichet, B.K, Thomas, V.L.
登録日2009-09-02
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural bases for stability-function tradeoffs in antibiotic resistance.
J.Mol.Biol., 396, 2010
3IWO
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BU of 3iwo by Molmil
X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase at 1.90 Angstrom resolution
分子名称: Beta-lactamase, PHOSPHATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Shoichet, B.K, Thomas, V.L.
登録日2009-09-03
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural bases for stability-function tradeoffs in antibiotic resistance.
J.Mol.Biol., 396, 2010
3IWQ
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BU of 3iwq by Molmil
X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase at 1.84 Angstrom resolution
分子名称: Beta-lactamase, PHOSPHATE ION
著者Shoichet, B.K, Thomas, V.L.
登録日2009-09-03
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural bases for stability-function tradeoffs in antibiotic resistance.
J.Mol.Biol., 396, 2010
3IXB
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BU of 3ixb by Molmil
X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase complexed with benzo(b)thiophene-2-boronic acid (BZB) at 1.63 Angstrom resolution
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION
著者Shoichet, B.K, Thomas, V.L.
登録日2009-09-03
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural bases for stability-function tradeoffs in antibiotic resistance.
J.Mol.Biol., 396, 2010

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