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
|
|
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
|
|
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
|
|
4S2P
| |
4CJN
| Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand | Descriptor: | (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ... | Authors: | Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | Deposit date: | 2013-12-21 | Release date: | 2015-02-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.947 Å) | Cite: | Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One. J.Am.Chem.Soc., 137, 2015
|
|
4WMC
| OXA-48 covalent complex with Avibactam inhibitor | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE | Authors: | Mangani, S, Benvenuti, M, Docquier, J.D. | Deposit date: | 2014-10-08 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48. Acs Chem.Biol., 10, 2015
|
|
4WM9
| Acinetobacter baumanii OXA-24 complex with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Mangani, S, Benvenuti, M, Docquier, J.-D. | Deposit date: | 2014-10-08 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48. Acs Chem.Biol., 10, 2015
|
|
4U3T
| |
4RA7
| Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin | Descriptor: | (2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan glycosyltransferase | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-09-09 | Release date: | 2014-09-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin To be Published
|
|
4R3J
| Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cefapirin | Descriptor: | (2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, PHOSPHATE ION, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-15 | Release date: | 2014-09-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cefapirin To be Published
|
|
4R23
| Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin | Descriptor: | (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-08 | Release date: | 2014-09-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin To be Published
|
|
4CPK
| Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA | Descriptor: | CADMIUM ION, CHLORIDE ION, Penicillin binding protein 2 prime, ... | Authors: | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | Deposit date: | 2014-02-07 | Release date: | 2014-09-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc., 136, 2014
|
|
4R0Q
| Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CEPHALOTHIN GROUP, Peptidoglycan glycosyltransferase, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-01 | Release date: | 2014-08-27 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin To be Published
|
|
4R1G
| Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cloxacillin | Descriptor: | CLOXACILLIN (OPEN FORM), Peptidoglycan glycosyltransferase | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-05 | Release date: | 2014-08-27 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cloxacillin To be Published
|
|
4QJG
| Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum 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, Peptidoglycan glycosyltransferase | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-06-03 | Release date: | 2014-07-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin V To be Published
|
|
4C3Q
| Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1 | Authors: | Coates, L, Tomanicek, S.J, Schrader, T, Weiss, K.L, Ng, J.D, Ostermann, A. | Deposit date: | 2013-08-26 | Release date: | 2014-07-09 | Last modified: | 2017-03-22 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits J.Appl.Crystallogr., 47, 2014
|
|
4BL2
| |
4BL3
| Crystal structure of PBP2a clinical mutant N146K from MRSA | Descriptor: | CADMIUM ION, CHLORIDE ION, PENICILLIN BINDING PROTEIN 2 PRIME, ... | Authors: | Otero, L.H, Rojas-Altuve, A, Carrasco-Lopez, C, Hermoso, J.A. | Deposit date: | 2013-04-30 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc., 136, 2014
|
|
4OON
| Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid) | Descriptor: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A | Authors: | Han, S, Caspers, N, Knafels, J.D. | Deposit date: | 2014-02-03 | Release date: | 2014-05-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
|
|
4OVD
| Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469 | Descriptor: | CALCIUM ION, Peptidoglycan glycosyltransferase | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Babnigg, G, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-02-21 | Release date: | 2014-03-12 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469 To be Published
|
|
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
|
|
4IED
| Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Class D beta-lactamase, ... | Authors: | Mangani, S, Benvenuti, M, Docquier, J.D. | Deposit date: | 2012-12-13 | Release date: | 2014-01-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum To be Published
|
|
3ZG9
| |
3ZNT
| Crystal structure of OXA-24 class D beta-lactamase with tazobactam | Descriptor: | BETA-LACTAMASE, SULFATE ION, TAZOBACTAM INTERMEDIATE | Authors: | Power, P, Sauvage, E, Herman, R, Kerff, F, Charlier, P. | Deposit date: | 2013-02-18 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Oxa-24 Beta-Lactamase Inhibited by Tazobactam To be Published
|
|
4KQQ
| CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
|
|