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
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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
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7LC4
 | | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911 | | Descriptor: | 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | van den Akker, F, Kumar, V. | | Deposit date: | 2021-01-09 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A gamma-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp.
Eur.J.Med.Chem., 220, 2021
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7BN9
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7LY1
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7O4A
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7O49
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7O4B
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7OK9
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7ONO
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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
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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
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7ONY
 | | Crystal structure of PBP3 from P. aeruginosa | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 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 (1.77 Å) | | Cite: | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
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7ONW
 | | Crystal structure of PBP3 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, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ... | | 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 (2.7 Å) | | Cite: | Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
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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
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7ONZ
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7RCX
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7RCZ
 | | Crystal structure of C. difficile SpoVD in complex with ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-07-08 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
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7RCY
 | | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ceftobiprole | | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein, ZINC ION | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-07-08 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
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7RCW
 | | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-07-08 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
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7RD0
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7ZG8
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8BH1
 | | Core divisome complex FtsWIQBL from Pseudomonas aeruginosa | | Descriptor: | Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ, ... | | Authors: | Kaeshammer, L, van den Ent, F, Jeffery, M, Lowe, J. | | Deposit date: | 2022-10-28 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of the bacterial divisome core complex and antibiotic target FtsWIQBL.
Nat Microbiol, 8, 2023
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8F3R
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3G
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M variant in the penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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