5FAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5MOX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mox by Molmil](/molmil-images/mine/5mox) | OXA-10 Avibactam complex with bound CO2 | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ... | Authors: | Brem, J. | Deposit date: | 2016-12-14 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
|
|
5FDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8VBZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vbz by Molmil](/molmil-images/mine/8vbz) | |
8VEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ven by Molmil](/molmil-images/mine/8ven) | Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with cefoperazone | Descriptor: | (2R,4R)-2-[(1R)-1-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methylidene-1,3-thiazinane-4-carboxylic acid, Probable peptidoglycan D,D-transpeptidase PenA | Authors: | Stratton, C, Bala, S, Davies, C. | Deposit date: | 2023-12-20 | Release date: | 2024-03-20 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041. Acs Infect Dis., 10, 2024
|
|
8VEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vep by Molmil](/molmil-images/mine/8vep) | Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 acylated by piperacillin | Descriptor: | DI(HYDROXYETHYL)ETHER, Piperacillin (Open Form), Probable peptidoglycan D,D-transpeptidase PenA | Authors: | Stratton, C.M, Bala, S, Davies, C. | Deposit date: | 2023-12-20 | Release date: | 2024-03-20 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041. Acs Infect Dis., 10, 2024
|
|
8VEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8veq by Molmil](/molmil-images/mine/8veq) | Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 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, Probable peptidoglycan D,D-transpeptidase PenA | Authors: | Stratton, C, Bala, S, Davies, C. | Deposit date: | 2023-12-20 | Release date: | 2024-03-20 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041. Acs Infect Dis., 10, 2024
|
|
5FAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5MNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mnu by Molmil](/molmil-images/mine/5mnu) | OXA-10 Avibactam complex with bound bromide | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ... | Authors: | Brem, J, McDonough, M, Clifton, I. | Deposit date: | 2016-12-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
|
|
5E2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5MOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5moz by Molmil](/molmil-images/mine/5moz) | OXA-10 Avibactam complex with bound Iodide | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ... | Authors: | Brem, J. | Deposit date: | 2016-12-15 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
|
|
5FAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5DTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dtt by Molmil](/molmil-images/mine/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
|
|
5DTS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dts by Molmil](/molmil-images/mine/5dts) | |
4S2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s2m by Molmil](/molmil-images/mine/4s2m) | Crystal Structure of OXA-163 complexed with iodide in the active site | Descriptor: | Beta-lactamase, IODIDE ION | Authors: | Stojanoski, V, Hu, L, Palzkill, T.G, Prasad, B. | Deposit date: | 2015-01-21 | Release date: | 2015-07-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens. Biochemistry, 54, 2015
|
|
4S2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s2j by Molmil](/molmil-images/mine/4s2j) | OXA-48 in complex with Avibactam at pH 6.5 | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | King, D.T, Strynadka, N.C.J. | Deposit date: | 2015-01-20 | Release date: | 2015-02-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition. ACS Infect Dis, 1, 2015
|
|
4OH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oh0 by Molmil](/molmil-images/mine/4oh0) | Crystal structure of OXA-58 carbapenemase | Descriptor: | Beta-lactamase OXA-58, CHLORIDE ION | Authors: | Smith, C.A, Antunes, N.T, Toth, M, Vakulenko, S.B. | Deposit date: | 2014-01-16 | Release date: | 2014-02-26 | Last modified: | 2014-04-02 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structure of Carbapenemase OXA-58 from Acinetobacter baumannii. Antimicrob.Agents Chemother., 58, 2014
|
|
4S2O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s2o by Molmil](/molmil-images/mine/4s2o) | OXA-10 in complex with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, COBALT (II) ION | Authors: | King, D.T, Strynadka, N.C.J. | Deposit date: | 2015-01-21 | Release date: | 2015-02-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition. ACS Infect Dis, 1, 2015
|
|
3PAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pag by Molmil](/molmil-images/mine/3pag) | Crystal structure of the V130D mutant of OXA-24/40 in complex with 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, Beta-lactamase, SULFATE ION | Authors: | Powers, R.A, Leonard, D.A, Schneider, K.D. | Deposit date: | 2010-10-19 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem. J.Mol.Biol., 406, 2011
|
|
3MBZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mbz by Molmil](/molmil-images/mine/3mbz) | OXA-24 beta-lactamase complex soaked with 10mM SA4-17 inhibitor for 15min | Descriptor: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Betalactamase OXA24, SULFATE ION | Authors: | Sampson, J, van den Akker, F. | Deposit date: | 2010-03-26 | Release date: | 2011-03-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase J.Am.Chem.Soc., 132, 2010
|
|
4S2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s2l by Molmil](/molmil-images/mine/4s2l) | Crystal Structure of OXA-163 beta-lactamase | Descriptor: | Beta-lactamase, SODIUM ION | Authors: | Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B. | Deposit date: | 2015-01-21 | Release date: | 2015-07-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens. Biochemistry, 54, 2015
|
|
4S2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s2n by Molmil](/molmil-images/mine/4s2n) | OXA-48 in complex with Avibactam at pH 8.5 | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | King, D.T, Strynadka, N.C.J. | Deposit date: | 2015-01-21 | Release date: | 2015-02-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition. ACS Infect Dis, 1, 2015
|
|
3PAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pae by Molmil](/molmil-images/mine/3pae) | Crystal structure of the K84D mutant of OXA-24/40 in complex with 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, Beta-lactamase, SULFATE ION | Authors: | Powers, R.A, Leonard, D.A, Schneider, K.D. | Deposit date: | 2010-10-19 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem. J.Mol.Biol., 406, 2011
|
|
4S2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s2k by Molmil](/molmil-images/mine/4s2k) | OXA-48 in complex with Avibactam at pH 7.5 | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | King, D.T, Strynadka, N.C.J. | Deposit date: | 2015-01-20 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition. ACS Infect Dis, 1, 2015
|
|
3LCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lce by Molmil](/molmil-images/mine/3lce) | Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic | Descriptor: | (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid, Beta-lactamase OXA-10, GLYCEROL, ... | Authors: | Gretes, M, Strynadka, N.C.J. | Deposit date: | 2010-01-10 | Release date: | 2010-03-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cyclobutanone Analogues of beta-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-beta-Lactamases. J.Am.Chem.Soc., 132, 2010
|
|