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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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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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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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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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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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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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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4JXS
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4JXW
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1RGY
| Citrobacter freundii GN346 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID | Authors: | Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R. | Deposit date: | 2003-11-13 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes. J.Biol.Chem., 279, 2004
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1RGZ
| Enterobacter cloacae GC1 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime | Descriptor: | GLYCEROL, class C beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID | Authors: | Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R. | Deposit date: | 2003-11-13 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes. J.Biol.Chem., 279, 2004
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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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1SCW
| TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR | Descriptor: | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | Authors: | Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A. | Deposit date: | 2004-02-12 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Toward Better Antibiotics: Crystallographic Studies of a Novel Class of DD-Peptidase/beta-Lactamase Inhibitors. Biochemistry, 43, 2004
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4JXV
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4KEN
| 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
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4KG5
| 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
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1S6R
| 908R class c beta-lactamase bound to iodo-acetamido-phenyl boronic acid | Descriptor: | 4-IODO-ACETAMIDO PHENYLBORONIC ACID, beta-lactamase | Authors: | Wouters, J. | Deposit date: | 2004-01-27 | Release date: | 2004-02-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystal structure of Enterobacter cloacae 908R class C beta-lactamase bound to iodo-acetamido-phenyl boronic acid, a transition-state analogue. Cell.Mol.Life Sci., 60, 2003
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1SDE
| Toward Better Antibiotics: Crystal Structure Of D-Ala-D-Ala Peptidase inhibited by a novel bicyclic phosphate inhibitor | Descriptor: | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | Authors: | Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A. | Deposit date: | 2004-02-13 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Toward better antibiotics: crystallographic studies of a novel class of DD-peptidase/beta-lactamase inhibitors Biochemistry, 43, 2004
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1BSG
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3ZYT
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1CI8
| ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI: AN ESTERASE WITH (BETA)-LACTAMASE FOLD. | Descriptor: | ISOPROPYL ALCOHOL, PROTEIN (CARBOXYLESTERASE) | Authors: | Wagner, U.G, Petersen, E.I, Schwab, H, Kratky, C. | Deposit date: | 1999-04-08 | Release date: | 2001-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | EstB from Burkholderia gladioli: a novel esterase with a beta-lactamase fold reveals steric factors to discriminate between esterolytic and beta-lactam cleaving activity Protein Sci., 11, 2002
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1CEG
| CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE | Descriptor: | CEPHALOTHIN GROUP, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE | Authors: | Knox, J.R, Kuzin, A.P. | Deposit date: | 1995-01-12 | Release date: | 1996-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases. Biochemistry, 34, 1995
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