7ONK
| Crystal structure of PBP3 from P. aeruginosa in complex with AIC499 | Descriptor: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Freischem, S, Grimm, I, Weiergraeber, O.H. | Deposit date: | 2021-05-25 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria. Biomolecules, 11, 2021
|
|
7ONN
| Crystal structure of PBP3 transpeptidase domain from E. coli in complex with AIC499 | Descriptor: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, DODECAETHYLENE GLYCOL, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Freischem, S, Grimm, I, Weiergraeber, O.H. | Deposit date: | 2021-05-25 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria. Biomolecules, 11, 2021
|
|
7ONX
| Crystal structure of PBP3 from P. aeruginosa | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Freischem, S, Grimm, I, Weiergraeber, O.H. | Deposit date: | 2021-05-26 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria. Biomolecules, 11, 2021
|
|
7OK9
| |
3OC2
| Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, Penicillin-binding protein 3 | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2010-08-09 | Release date: | 2010-11-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.968 Å) | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms J.Mol.Biol., 405, 2011
|
|
3PBO
| Crystal structure of PBP3 complexed with ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3PBT
| Crystal structure of PBP3 complexed with MC-1 | Descriptor: | (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate, Penicillin-binding protein 3 | Authors: | Han, S, Evdokimov, A. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2012-02-08 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3PBN
| Crystal Structure of Apo PBP3 from Pseudomonas aeruginosa | Descriptor: | Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3PBS
| Crystal structure of PBP3 complexed with aztreonam | 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, Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3PBQ
| Crystal structure of PBP3 complexed with imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2011-08-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3PBR
| Crystal structure of PBP3 complexed with meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3OCN
| Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with ceftazidime | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, penicillin-binding protein 3 | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2010-08-10 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms J.Mol.Biol., 405, 2011
|
|
3OCL
| Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with carbenicillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2010-08-10 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms J.Mol.Biol., 405, 2011
|
|
6I1E
| Crystal structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 in complex with amoxicillin | Descriptor: | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Bellini, D, Dowson, C.G. | Deposit date: | 2018-10-28 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance. J.Mol.Biol., 431, 2019
|
|
6HR9
| |
7ATM
| Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1) | Descriptor: | (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-10-30 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.582 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7ATO
| Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2) | Descriptor: | (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-10-30 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.587 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AU0
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7) | Descriptor: | Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7ATX
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4) | Descriptor: | 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-01 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AU8
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13) | Descriptor: | 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AU9
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14) | Descriptor: | GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7ATW
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3) | Descriptor: | 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-01 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AUB
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15) | Descriptor: | 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.907 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AUH
| Structure of P. aeruginosa PBP3 in complex with vaborbactam | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-03 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.012 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AU1
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12) | Descriptor: | 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|