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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
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
6K8X
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BU of 6k8x by Molmil
Crystal structure of a class C beta lactamase
分子名称: Beta-lactamase
著者Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S.
登録日2019-06-13
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
6KA5
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BU of 6ka5 by Molmil
Crystal structure of a class C beta-lactamase 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
著者Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S.
登録日2019-06-20
公開日2019-10-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
1I5Q
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BU of 1i5q by Molmil
CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM
分子名称: (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, BETA-LACTAMASE
著者Trehan, I, Beadle, B.M, Shoichet, B.K.
登録日2001-02-28
公開日2001-06-20
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Inhibition of AmpC beta-lactamase through a destabilizing interaction in the active site.
Biochemistry, 40, 2001
1I2S
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BU of 1i2s by Molmil
BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3
分子名称: BETA-LACTAMASE, CITRIC ACID, SODIUM ION
著者Fonze, E, Vanhove, M, Dive, G, Sauvage, E, Frere, J.M, Charlier, P.
登録日2001-02-12
公開日2002-03-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of the Bacillus licheniformis BS3 class A beta-lactamase and of the acyl-enzyme adduct formed with cefoxitin
Biochemistry, 41, 2002
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
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
6KJC
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BU of 6kjc by Molmil
lovastatin esterase PcEST, wild type
分子名称: FORMIC ACID, Pc15g00720 protein
著者Liang, Y.J, Lu, X.F.
登録日2019-07-22
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
6KJH
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BU of 6kjh by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: Putative beta-lactamase, SULFATE ION
著者Xiao, F, Sheng, D, Feng, Y, Li, W.
登録日2019-07-22
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJQ
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BU of 6kjq by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
1KVM
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BU of 1kvm by Molmil
X-ray Crystal Structure of AmpC WT beta-Lactamase in Complex with Covalently Bound Cephalothin
分子名称: 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, PHOSPHATE ION, 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 (2.06 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
1KE4
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BU of 1ke4 by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli
分子名称: 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 (1.72 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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BU of 1ke3 by Molmil
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
6KJF
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BU of 6kjf by Molmil
lovastatin esterase PcEST in complex with simvastatin
分子名称: Pc15g00720 protein, Simvastatin acid, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
著者Liang, Y.J, Lu, X.F.
登録日2019-07-22
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
6KJT
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BU of 6kjt by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: Putative beta-lactamase, SUCCINIC ACID
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
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
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
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
3IXG
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BU of 3ixg by Molmil
X-ray crystal structure of the extended-spectrum AmpC T70I mutant beta-lactamase with and without benzo(b)thiophene-2-boronic acid bound at 2.14 Angstrom resolution
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase
著者Shoichet, B.K, Thomas, V.L.
登録日2009-09-04
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural bases for stability-function tradeoffs in antibiotic resistance.
J.Mol.Biol., 396, 2010
6KJP
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BU of 6kjp by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase, SULFATE ION
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJD
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BU of 6kjd by Molmil
lovastatin esterase PcEST inactive mutant S57A in 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, Pc15g00720 protein, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
著者Liang, Y.J, Lu, X.F.
登録日2019-07-22
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019

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件を2024-08-07に公開中

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