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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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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1PIO
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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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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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1ONG
 | | SHV-1 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, BETA-LACTAMASE SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Nukaga, M, Mayama, K, Bonomo, R.A, Knox, J.R. | | Deposit date: | 2003-02-27 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.1 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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1OME
 | | CRYSTAL STRUCTURE OF THE OMEGA LOOP DELETION MUTANT (RESIDUES 163-178 DELETED) OF BETA-LACTAMASE FROM STAPHYLOCOCCUS AUREUS PC1 | | Descriptor: | BETA-LACTAMASE, CHLORIDE ION | | Authors: | Banerjee, S, Pieper, U, Herzberg, O. | | Deposit date: | 1998-02-09 | | Release date: | 1998-05-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Role of the omega-loop in the activity, substrate specificity, and structure of class A beta-lactamase.
Biochemistry, 37, 1998
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1O7E
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1O07
 | | 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
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1NYY
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (105) | | Descriptor: | Beta-lactamase TEM, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID | | Authors: | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | Deposit date: | 2003-02-14 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003
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1NYM
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (CXB) | | Descriptor: | Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | Deposit date: | 2003-02-12 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003
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1NY0
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (NBF) | | Descriptor: | Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | Deposit date: | 2003-02-11 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
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1NXY
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2) | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION | | Authors: | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | Deposit date: | 2003-02-11 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
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1N9B
 | | Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-LACTAMASE SHV-2, ... | | Authors: | Nukaga, M, Mayama, K, Hujer, A.M, Bonomo, R.A, Knox, J.R. | | Deposit date: | 2002-11-22 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme
J.Mol.Biol., 328, 2003
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1N4O
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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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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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1MPL
 | | CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE | | Descriptor: | D-alanyl-D-alanine carboxypeptidase, GLYCEROL, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE | | Authors: | Silvaggi, N.R, Anderson, J.W, Brinsmade, S.R, Pratt, R.F, Kelly, J.A. | | Deposit date: | 2002-09-12 | | Release date: | 2003-02-25 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | The Crystal Structure of Phosphonate-Inhibited
d-Ala-d-Ala Peptidase Reveals an Analogue of a Tetrahedral Transition State.
Biochemistry, 42, 2003
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1MBL
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1M40
 | | ULTRA HIGH RESOLUTION CRYSTAL STRUCTURE OF TEM-1 | | Descriptor: | BETA-LACTAMASE TEM, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ... | | Authors: | Minasov, G, Wang, X, Shoichet, B.K. | | Deposit date: | 2002-07-01 | | Release date: | 2002-07-17 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation.
J.Am.Chem.Soc., 124, 2002
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1LLB
 | | Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With ATMO-penicillin | | Descriptor: | 2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, beta-lactamase | | Authors: | Trehan, I, Morandi, F, Blaszczak, L.C, Shoichet, B.K. | | Deposit date: | 2002-04-26 | | Release date: | 2002-10-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Using steric hindrance to design new inhibitors of class C beta-lactamases.
Chem.Biol., 9, 2002
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1LL9
 | | Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With Amoxicillin | | Descriptor: | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, beta-lactamase | | Authors: | Trehan, I, Morandi, F, Blaszczak, L.C, Shoichet, B.K. | | Deposit date: | 2002-04-26 | | Release date: | 2002-10-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Using steric hindrance to design new inhibitors of class C beta-lactamases.
Chem.Biol., 9, 2002
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1LL5
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