5DTS
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5DTK
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![BU of 5dtk by Molmil](/molmil-images/mine/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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5DVA
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5DVY
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![BU of 5dvy by Molmil](/molmil-images/mine/5dvy) | 2.95 Angstrom Crystal Structure of the Dimeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Penicillin binding protein 2 prime, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Filippova, E, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-09-21 | Release date: | 2015-10-07 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | 2.95 Angstrom Crystal Structure of the Dimeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium. To Be Published
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5E2F
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![BU of 5e2f by Molmil](/molmil-images/mine/5e2f) | Crystal Structure of Beta-lactamase class D from Bacillus subtilis | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase YbxI, CALCIUM ION | Authors: | Kim, Y, Joachimiak, G, Endres, M, Babnigg, G, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-10-01 | Release date: | 2015-10-14 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structure of Beta-lactamase class D from Bacillus subtilis To Be Published
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5E31
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![BU of 5e31 by Molmil](/molmil-images/mine/5e31) | 2.3 Angstrom Crystal Structure of the Monomeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium. | Descriptor: | Penicillin binding protein 2 prime | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Filippova, E, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-10-01 | Release date: | 2015-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2.3 Angstrom Crystal Structure of the Monomeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium. To Be Published
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5FQ9
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![BU of 5fq9 by Molmil](/molmil-images/mine/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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5FAS
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![BU of 5fas by Molmil](/molmil-images/mine/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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5FAQ
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![BU of 5faq by Molmil](/molmil-images/mine/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
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![BU of 5fat by Molmil](/molmil-images/mine/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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5FDH
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![BU of 5fdh by Molmil](/molmil-images/mine/5fdh) | CRYSTAL STRUCTURE OF OXA-405 BETA-LACTAMASE | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | Authors: | Retailleau, P, Oueslati, S, Marchini, L, Dortet, L, Naas, T, Iorga, B. | Deposit date: | 2015-12-16 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum beta-Lactamase Activity. Microorganisms, 8, 2019
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5FGZ
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![BU of 5fgz by Molmil](/molmil-images/mine/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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5HAQ
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![BU of 5haq by Molmil](/molmil-images/mine/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
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![BU of 5hap by Molmil](/molmil-images/mine/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
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![BU of 5har by Molmil](/molmil-images/mine/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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5HFO
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![BU of 5hfo by Molmil](/molmil-images/mine/5hfo) | CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE | Descriptor: | Beta-lactamase, CHLORIDE ION, GLYCEROL, ... | Authors: | Retailleau, P, Oueslati, S, Cisse, C, Nordmann, P, Naas, T, Iorga, B. | Deposit date: | 2016-01-07 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Role of Arginine 214 in the Substrate Specificity of OXA-48. Antimicrob.Agents Chemother., 64, 2020
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5HL9
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![BU of 5hl9 by Molmil](/molmil-images/mine/5hl9) | E. coli PBP1b in complex with acyl-ampicillin and moenomycin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B | Authors: | King, D.T, Strynadka, N.C.J. | Deposit date: | 2016-01-14 | Release date: | 2016-12-14 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Insights into Inhibition of Escherichia coli Penicillin-binding Protein 1B. J.Biol.Chem., 292, 2017
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5HLD
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![BU of 5hld by Molmil](/molmil-images/mine/5hld) | E. coli PBP1b in complex with acyl-CENTA and moenomycin | Descriptor: | (2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B | Authors: | King, D.T, Strynadka, N.C.J. | Deposit date: | 2016-01-14 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition. J. Biol. Chem., 2016
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5HLB
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![BU of 5hlb by Molmil](/molmil-images/mine/5hlb) | E. coli PBP1b in complex with acyl-aztreonam and moenomycin | 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, MOENOMYCIN, Penicillin-binding protein 1B | Authors: | King, D.T, Strynadka, N.C.J. | Deposit date: | 2016-01-14 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition. J. Biol. Chem., 2016
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5HLA
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![BU of 5hla by Molmil](/molmil-images/mine/5hla) | E. coli PBP1b in complex with acyl-cephalexin and moenomycin | Descriptor: | (2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, MOENOMYCIN, Penicillin-binding protein 1B | Authors: | King, D.T, Strynadka, N.C.J. | Deposit date: | 2016-01-14 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Escherichia coli Penicillin-Binding Protein 1B: Structural Insights into Inhibition. J. Biol. Chem., 2016
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5IY2
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![BU of 5iy2 by Molmil](/molmil-images/mine/5iy2) | Structure of apo OXA-143 carbapenemase | Descriptor: | Beta-lactamase OXA-143, GLYCEROL | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2016-03-23 | Release date: | 2017-08-09 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D beta-lactamases. Acta Crystallogr D Struct Biol, 73, 2017
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5G18
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![BU of 5g18 by Molmil](/molmil-images/mine/5g18) | Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate | 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 CTX-M-97, SULFATE ION | Authors: | Vandavasi, V.G, Weiss, K.L, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L. | Deposit date: | 2016-03-23 | Release date: | 2016-11-09 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (1.1 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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5KMW
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![BU of 5kmw by Molmil](/molmil-images/mine/5kmw) | TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex | Descriptor: | Beta-lactamase Toho-1, OPEN FORM - PENICILLIN G, PENICILLIN G, ... | Authors: | Coates, L, Langan, P.S, Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Ginell, S.L. | Deposit date: | 2016-06-27 | Release date: | 2017-03-01 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex to be published
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5KSC
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![BU of 5ksc by Molmil](/molmil-images/mine/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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5KSH
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