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4M3K
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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
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
1FCN
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Crystal Structure of the E. Coli AMPC Beta-Lactamase Mutant Q120L/Y150E Covalently Acylated with the Substrate Beta-Lactam LORACARBEF
分子名称: BETA-LACTAMASE, LORACABEF (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 (2.35 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
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
1O07
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BU of 1o07 by Molmil
Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG)
分子名称: 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, POTASSIUM ION
著者Meroueh, S.O, Minasov, G, Lee, W, Shoichet, B.K, Mobashery, S.
登録日2003-02-20
公開日2003-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural Aspects for Evolution of beta-Lactamases from Penicillin-Binding Proteins
J.Am.Chem.Soc., 125, 2003
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
4KG2
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BU of 4kg2 by Molmil
Crystal Structure of AmpC beta-lactamase from E. coli 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 (1.89 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
4JXS
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BU of 4jxs by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-[(4-CARBOXYBENZYL)SULFAMOYL]THIOPHENE-2-CARBOXYLIC ACID (compound 4)
分子名称: 3-[(4-carboxybenzyl)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2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 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
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
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
1IEM
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BU of 1iem by Molmil
Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1, CefB4)
分子名称: PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase
著者Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K.
登録日2001-04-10
公開日2001-08-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
1IKG
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BU of 1ikg by Molmil
MICHAELIS COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
分子名称: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE
著者Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A.
登録日2001-05-03
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
1IEL
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BU of 1iel by Molmil
Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Ceftazidime
分子名称: ACYLATED CEFTAZIDIME, PHOSPHATE ION, beta-lactamase
著者Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K.
登録日2001-04-10
公開日2001-08-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
1GCE
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BU of 1gce by Molmil
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
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
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
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
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
6KJE
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lovastatin esterase PcEST in complex with monacolin J
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, ACETATE ION, 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 (2.484 Å)
主引用文献Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
4E3M
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Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
6KJR
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BU of 6kjr 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: 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid, 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 (2.361 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
4E3O
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Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor
分子名称: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
6KJP
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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

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