5KSC
 
 | | E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate | | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1 | | Authors: | Vandavasi, V.G, Langan, P.S, Weiss, K, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L. | | Deposit date: | 2016-07-08 | | Release date: | 2016-11-09 | | Last modified: | 2019-12-04 | | Method: | NEUTRON DIFFRACTION (2.1 Å) | | Cite: | Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
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5L2F
 | | High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D bound to doripenem | | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ACETATE ION, Beta-lactamase, ... | | Authors: | June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T. | | Deposit date: | 2016-08-01 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
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5HAQ
 | | OXa-48 beta-lactamase mutant - S70G | | Descriptor: | Beta-lactamase, CADMIUM ION, FORMIC ACID | | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2015-12-30 | | Release date: | 2016-09-07 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
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5HAP
 | | OXA-48 beta-lactamase - S70A mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2015-12-30 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
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5HAR
 | | OXA-163 beta-lactamase - S70G mutant | | Descriptor: | ACETATE ION, Beta-lactamase, CHLORIDE ION | | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2015-12-30 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
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5FQ9
 | | Crystal structure of the OXA10 with 1C | | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | | Authors: | Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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5KZH
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5DVA
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5DTK
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 17 | | Descriptor: | 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ... | | Authors: | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | Deposit date: | 2015-09-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.60000241 Å) | | Cite: | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
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5DTT
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ... | | Authors: | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | Deposit date: | 2015-09-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.10000539 Å) | | Cite: | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
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5DTS
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5CXW
 | | Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V | | Descriptor: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2015-07-29 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
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5CRF
 | | Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis | | Descriptor: | PHOSPHATE ION, Penicillin-binding protein 1A | | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2015-07-22 | | Release date: | 2016-05-04 | | Last modified: | 2016-07-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
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4Z9Q
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4YIN
 | | Crystal structure of the extended-spectrum beta-lactamase OXA-145 | | Descriptor: | Beta-lactamase, CITRATE ANION | | Authors: | Meziane-Cherif, D, Bonnet, R, Haouz, A, Courvalin, P. | | Deposit date: | 2015-03-02 | | Release date: | 2016-02-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the loss of penicillinase and the gain of ceftazidimase activities by OXA-145 beta-lactamase in Pseudomonas aeruginosa.
J. Antimicrob. Chemother., 71, 2016
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5FGZ
 | | E. coli PBP1b in complex with FPI-1465 | | Descriptor: | MOENOMYCIN, Penicillin-binding protein 1B, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | | Authors: | King, D.T, Strynadka, N.C.J. | | Deposit date: | 2015-12-21 | | Release date: | 2016-01-20 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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5FAQ
 | | OXA-48 in complex with FPI-1465 | | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | Deposit date: | 2015-12-11 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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5FAT
 | | OXA-48 in complex with FPI-1602 | | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | Deposit date: | 2015-12-12 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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5FAS
 | | OXA-48 in complex with FPI-1523 | | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | Deposit date: | 2015-12-11 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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4Y0T
 | | Crystal structure of apo form of OXA-58, a Carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii (P21, 4mol/ASU) | | Descriptor: | Beta-lactamase | | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | | Deposit date: | 2015-02-06 | | Release date: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
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4Y0O
 | | Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii. | | Descriptor: | Beta-lactamase | | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | | Deposit date: | 2015-02-06 | | Release date: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
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4Y0U
 | | Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii. | | Descriptor: | 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | | Deposit date: | 2015-02-06 | | Release date: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
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5DF7
 | | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH AZLOCILLIN | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Cell division protein, ... | | Authors: | Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J. | | Deposit date: | 2015-08-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms.
Febs Lett., 590, 2016
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5DF8
 | | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH CEFOPERAZONE | | Descriptor: | (2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid, CHLORIDE ION, Cell division protein, ... | | Authors: | Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J. | | Deposit date: | 2015-08-26 | | Release date: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms.
Febs Lett., 590, 2016
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5DF9
 | | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 IN COMPLEX WITH DEACYLATED PRODUCT OF CEFOPERAZONE | | Descriptor: | (2R,5R)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Cell division protein, GLYCEROL, ... | | Authors: | Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J. | | Deposit date: | 2015-08-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms.
Febs Lett., 590, 2016
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