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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
1XGJ
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BU of 1xgj by Molmil
AmpC beta-lactamase in complex with 3-(4-carboxy-2-hydroxy-phenylsulfamoyl)-thiophene-2-carboxylic acid
Descriptor: 3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID, Beta-lactamase
Authors:Tondi, D, Morandi, F, Bonnet, R, Costi, M.P, Shoichet, B.K.
Deposit date:2004-09-17
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture.
J.Am.Chem.Soc., 127, 2005
7UDA
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BU of 7uda by Molmil
Structure of the EstG
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2022-03-18
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
7ULW
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BU of 7ulw by Molmil
CryoEM structure of human LACTB filament
Descriptor: Serine beta-lactamase-like protein LACTB, mitochondrial
Authors:Bennett, J.A, Steward, L.R, Aydin, H.
Deposit date:2022-04-05
Release date:2022-12-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structure of the human LACTB filament reveals the mechanisms of assembly and membrane binding.
Plos Biol., 20, 2022
1PI4
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BU of 1pi4 by Molmil
Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the cephalothin R1 side chain
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K.
Deposit date:2003-05-29
Release date:2004-02-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Thermodynamic cycle analysis and inhibitor design against beta-lactamase.
Biochemistry, 42, 2003
5WAD
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BU of 5wad by Molmil
ADC-7 in complex with boronic acid transition state inhibitor CR161
Descriptor: Beta-lactamase, PHOSPHATE ION, phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2017-06-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
1XGI
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BU of 1xgi by Molmil
AmpC beta-lactamase in complex with 3-(3-nitro-phenylsulfamoyl)-thiophene-2-carboxylic acid
Descriptor: 3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID, Beta-lactamase
Authors:Tondi, D, Morandi, F, Bonnet, R, Costi, M.P, Shoichet, B.K.
Deposit date:2004-09-17
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture.
J.Am.Chem.Soc., 127, 2005
1PWD
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BU of 1pwd by Molmil
Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C
Descriptor: (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase precursor
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1YQS
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BU of 1yqs by Molmil
Inhibition of the R61 DD-Peptidase by N-benzoyl-beta-sultam
Descriptor: 2-(BENZOYLAMINO)ETHANESULFONIC ACID, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
Authors:Ahmed, N, Cordaro, M, Laws, A.P, Delmarcelle, M, Silvaggi, N.R, Kelly, J.A, Page, M.I.
Deposit date:2005-02-02
Release date:2005-06-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Inactivation of Bacterial dd-Peptidase by beta-Sultams.
Biochemistry, 44, 2005
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
4KZ6
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BU of 4kz6 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid)
Descriptor: (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZA
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BU of 4kza by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid)
Descriptor: 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
5W13
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BU of 5w13 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor SM23
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase
Authors:Smolen, K.A, Powers, R.A, Wallar, B.J.
Deposit date:2017-06-01
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
5W12
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BU of 5w12 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor EC04
Descriptor: 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase
Authors:Smolen, K.A, Powers, R.A, Wallar, B.J.
Deposit date:2017-06-01
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
4JXW
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BU of 4jxw by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[3-(4-CARBOXYPHENYL)PROPYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 6)
Descriptor: 3-{[3-(4-carboxyphenyl)propyl]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:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
1PW1
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BU of 1pw1 by Molmil
Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
Descriptor: (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, FORMYL GROUP, ...
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-06-30
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1Q2Q
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BU of 1q2q by Molmil
Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229
Descriptor: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
Authors:Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
Deposit date:2003-07-25
Release date:2004-09-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
4KG6
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BU of 4kg6 by Molmil
Crystal Structure of AmpC beta-lactamase N152G Mutant from E. coli
Descriptor: Beta-lactamase, PHOSPHATE ION
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:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Complexed structures of AmpC beta-lactamase
To be Published
4KZ7
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BU of 4kz7 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)
Descriptor: (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
5WAF
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BU of 5waf by Molmil
ADC-7 in complex with boronic acid transition state inhibitor CR192
Descriptor: Beta-lactamase, phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2017-06-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
4KZ9
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BU of 4kz9 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol)
Descriptor: (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
1MBL
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BU of 1mbl by Molmil
A catalytically-impaired class A beta-lactamase: 2 Angstroms crystal structure and kinetics of the Bacillus licheniformis E166A mutant
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Knox, J.R, Moews, P.C.
Deposit date:1992-08-17
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A catalytically-impaired class A beta-lactamase: 2 A crystal structure and kinetics of the Bacillus licheniformis E166A mutant.
Protein Eng., 6, 1993
4KZ5
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BU of 4kz5 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine)
Descriptor: Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
1PWC
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BU of 1pwc by Molmil
penicilloyl acyl enzyme complex of the Streptomyces R61 DD-peptidase with penicillin G
Descriptor: D-alanyl-D-alanine carboxypeptidase, OPEN FORM - PENICILLIN G
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005

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