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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
Descriptor: Beta-lactamase, CHLORIDE ION, Camelid heavy-chain antibody variable fragment cAb-H7S
Authors:Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M.
Deposit date:2013-08-06
Release date:2014-08-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite: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
Descriptor: (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, ...
Authors:Wallar, B.J, Powers, R.A, Docter, B.E.
Deposit date:2013-03-28
Release date:2014-10-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
1FCN
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BU of 1fcn by Molmil
Crystal Structure of the E. Coli AMPC Beta-Lactamase Mutant Q120L/Y150E Covalently Acylated with the Substrate Beta-Lactam LORACARBEF
Descriptor: BETA-LACTAMASE, LORACABEF (Open form)
Authors:Patera, A, Blaszczak, L.C, Shoichet, B.K.
Deposit date:2000-07-18
Release date:2000-12-04
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: (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
Authors:Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
Deposit date:2013-04-25
Release date:2014-10-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
4KG5
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BU of 4kg5 by Molmil
Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime
Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
Authors:Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
Deposit date:2013-04-28
Release date:2014-10-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite: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)
Descriptor: 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
Authors:Meroueh, S.O, Minasov, G, Lee, W, Shoichet, B.K, Mobashery, S.
Deposit date:2003-02-20
Release date:2003-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase ADC-68, CITRIC ACID
Authors:Hong, M.K, Kang, L.W.
Deposit date:2014-05-13
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
Authors:Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
Deposit date:2013-04-28
Release date:2014-10-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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)
Descriptor: 3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Hendershot, J.M.
Deposit date:2013-03-28
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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)
Descriptor: 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID, BETA-LACTAMASE, PHOSPHATE ION, ...
Authors:Tondi, D, Powers, R.A, Caselli, E, Negri, M.C, Blazquez, J, Costi, M.P, Shoichet, B.K.
Deposit date:2000-11-29
Release date:2001-07-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 4,4'-BIPHENYLDIBORONIC ACID, PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Shoichet, B.K.
Deposit date:2001-11-14
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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)
Descriptor: PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase
Authors:Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K.
Deposit date:2001-04-10
Release date:2001-08-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE
Authors:Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A.
Deposit date:2001-05-03
Release date:2002-09-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: ACYLATED CEFTAZIDIME, PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K.
Deposit date:2001-04-10
Release date:2001-08-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: BETA-LACTAMASE
Authors:Crichlow, G.V, Kuzin, A.P, Nukaga, M, Sawai, T, Knox, J.R.
Deposit date:1999-05-17
Release date:1999-08-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (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
Authors:Shoichet, B.K, Barelier, S.
Deposit date:2014-01-23
Release date:2014-05-28
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
Descriptor: (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-24
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-27
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Beta-lactamase
Authors:Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S.
Deposit date:2019-06-13
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite: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
Descriptor: (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
Authors:Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S.
Deposit date:2019-06-20
Release date:2019-10-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
6KJE
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BU of 6kje by Molmil
lovastatin esterase PcEST in complex with monacolin J
Descriptor: (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, ...
Authors:Liang, Y.J, Lu, X.F.
Deposit date:2019-07-22
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.484 Å)
Cite:Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
4E3M
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BU of 4e3m by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite: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
Descriptor: 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
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.361 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
4E3O
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BU of 4e3o by Molmil
Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor
Descriptor: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
Descriptor: (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
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020

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