4IVK
 
 | | Crystal structure of a fammily VIII carboxylesterase in a complex with cephalothin. | | Descriptor: | CEPHALOTHIN GROUP, Carboxylesterases, SULFATE ION | | Authors: | An, Y.J, Kim, M.-K, Jeong, C.-S, Cha, S.-S. | | Deposit date: | 2013-01-23 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the beta-lactamase activity of EstU1, a family VIII carboxylesterase.
Proteins, 81, 2013
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4IVI
 | | Crystal structure of a family VIII carboxylesterase. | | Descriptor: | Carboxylesterase, SULFATE ION | | Authors: | An, Y.J, Kim, M.-K, Jeong, C.-S, Cha, S.-S. | | Deposit date: | 2013-01-23 | | Release date: | 2013-06-19 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the beta-lactamase activity of EstU1, a family VIII carboxylesterase.
Proteins, 81, 2013
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4GB7
 | | Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis | | Descriptor: | 1,2-ETHANEDIOL, 6-aminohexanoate-dimer hydrolase, NITRATE ION | | Authors: | Osipiuk, J, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-07-26 | | Release date: | 2012-08-08 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis.
To be Published
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4JXS
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4JXW
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4JXG
 | | 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
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1WYC
 | | Structure of 6-aminohexanoate-dimer hydrolase, DN mutant | | Descriptor: | 6-aminohexanoate-dimer hydrolase | | Authors: | Negoro, S, Ohki, T, Shibata, N, Mizuno, N, Wakitani, Y, Tsurukame, J, Matsumoto, K, Kawamoto, I, Takeo, M, Higuchi, Y. | | Deposit date: | 2005-02-09 | | Release date: | 2006-02-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase
J.Mol.Biol., 370, 2007
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1WYB
 | | Structure of 6-aminohexanoate-dimer hydrolase | | Descriptor: | 6-aminohexanoate-dimer hydrolase | | Authors: | Negoro, S, Ohki, T, Shibata, N, Mizuno, N, Wakitani, Y, Tsurukame, J, Matsumoto, K, Kawamoto, I, Takeo, M, Higuchi, Y. | | Deposit date: | 2005-02-09 | | Release date: | 2005-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of 6-aminohexanoate-dimer hydrolase
To be Published
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1PI5
 | | Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC 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 (1.49 Å) | | Cite: | Thermodynamic cycle analysis and inhibitor design against beta-lactamase.
Biochemistry, 42, 2003
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1PI4
 | | 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
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1XGJ
 | | 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
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1PWD
 | | 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
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1XX2
 | | Refinement of P99 beta-lactamase from Enterobacter cloacae | | Descriptor: | Beta-lactamase | | Authors: | Knox, J.R, Sun, T. | | Deposit date: | 2004-11-03 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystallographic structure of a phosphonate derivative of the Enterobacter cloacae P99 cephalosporinase: mechanistic interpretation of a beta-lactamase transition-state analog.
Biochemistry, 33, 1994
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1XGI
 | | 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
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1YQS
 | | 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
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1MXO
 | | AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION | | Authors: | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | | Deposit date: | 2002-10-02 | | Release date: | 2003-03-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
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1MY8
 | | AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase | | Authors: | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | | Deposit date: | 2002-10-03 | | Release date: | 2003-03-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
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1PW1
 | | 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
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1ONH
 | | GC1 beta-lactamase with a penem inhibitor | | Descriptor: | 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID, GLYCEROL, class C beta-lactamase | | Authors: | Nukaga, M, Nukaga, K, Knox, J.R. | | Deposit date: | 2003-02-27 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate
Biochemistry, 42, 2003
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1PWG
 | | Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase | | 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 (1.074 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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1PW8
 | | Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin | | Descriptor: | (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | | 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 (1.3 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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1Q2Q
 | | 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
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1PWC
 | | 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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1Y54
 | | Crystal structure of the native class C beta-lactamase from Enterobacter cloacae 908R complexed with BRL42715 | | Descriptor: | (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Michaux, C, Charlier, P, Frere, J.-M, Wouters, J. | | Deposit date: | 2004-12-02 | | Release date: | 2005-03-29 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene)penem, in Complex with Enterobactercloacae 908R beta-Lactamase: Evidence for a Stereoselective Mechanism from Docking Studies
J.Am.Chem.Soc., 127, 2005
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1ZKJ
 | | Structural Basis for the Extended Substrate Spectrum of CMY-10, a Plasmid-Encoded Class C beta-lactamase | | Descriptor: | ACETIC ACID, ZINC ION, extended-spectrum beta-lactamase | | Authors: | Cha, S.S, Jung, H.I, An, Y.J, Lee, S.H. | | Deposit date: | 2005-05-03 | | Release date: | 2006-04-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis for the extended substrate spectrum of CMY-10, a plasmid-encoded class C beta-lactamase.
Mol.Microbiol., 60, 2006
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