7UTB
| KPC-2 CARBAPENEMASE IN COMPLEX WITH THE BORONIC ACID INHIBITOR MB_076 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, [(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron | Authors: | van den Akker, F, Alsenani, T.A. | Deposit date: | 2022-04-26 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Boronic Acid Transition State Inhibitors as Potent Inactivators of KPC and CTX-M beta-Lactamases: Biochemical and Structural Analyses. Antimicrob.Agents Chemother., 67, 2023
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6PXX
| Class D beta-lactamase in complex with beta-lactam antibiotic | Descriptor: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2019-07-28 | Release date: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis of The OXA-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem. Antibiotics, 8, 2019
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7TC1
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7TB7
| Crystal structure of D179N KPC-2 beta-lactamase | Descriptor: | CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | van den Akker, F, Alsenani, T. | Deposit date: | 2021-12-21 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
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7TBX
| Crystal structure of D179Y KPC-2 beta-lactamase | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | van den Akker, F, Alsenani, T. | Deposit date: | 2021-12-22 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
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6VOT
| Crystal structure of Pseudomonas aerugonisa PBP3 complexed to gamma-lactam YU253434 | Descriptor: | 1-[(2S)-2-{[(2Z)-2-(2-amino-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. | Deposit date: | 2020-01-31 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A gamma-Lactam Siderophore Antibiotic Effective against Multidrug-Resistant Gram-Negative Bacilli. J.Med.Chem., 63, 2020
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8URN
| Crystal structure of EscI(51-87)-linker-EtgA(18-152) fusion protein | Descriptor: | EscI inner rod protein type III secretion system,EtgA protein, SULFATE ION | Authors: | van den Akker, F. | Deposit date: | 2023-10-26 | Release date: | 2024-02-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural insights into peptidoglycan glycosidase EtgA binding to the inner rod protein EscI of the type III secretion system via a designed EscI-EtgA fusion protein. Protein Sci., 33, 2024
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6VJE
| Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed 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, CHLORIDE ION, Peptidoglycan D,D-transpeptidase FtsI | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2020-01-15 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Insights into Ceftobiprole Inhibition of Pseudomonas aeruginosa Penicillin-Binding Protein 3. Antimicrob.Agents Chemother., 64, 2020
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6MPQ
| 1.95 Ang crystal structure of OXA-24/40 beta-lactamase in complex the inhibitor ETX2514 | Descriptor: | (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, Beta-lactamase, CHLORIDE ION | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2018-10-08 | Release date: | 2019-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Targeting Multidrug-ResistantAcinetobacterspp.: Sulbactam and the Diazabicyclooctenone beta-Lactamase Inhibitor ETX2514 as a Novel Therapeutic Agent. MBio, 10, 2019
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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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1LTG
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1LT3
| HEAT-LABILE ENTEROTOXIN DOUBLE MUTANT N40C/G166C | Descriptor: | HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Van Den Akker, F, Hol, W.G.J. | Deposit date: | 1997-04-12 | Release date: | 1997-07-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of heat-labile enterotoxin from Escherichia coli with increased thermostability introduced by an engineered disulfide bond in the A subunit. Protein Sci., 6, 1997
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1LT4
| HEAT-LABILE ENTEROTOXIN MUTANT S63K | Descriptor: | HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Van Den Akker, F, Hol, W.G.J. | Deposit date: | 1997-04-14 | Release date: | 1997-06-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a non-toxic mutant of heat-labile enterotoxin, which is a potent mucosal adjuvant. Protein Sci., 6, 1997
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7LGK
| Crystal structure of soluble guanylate cyclase activator runcaciguat (BAY 1101042) bound to nostoc H-NOX domain | Descriptor: | CHLORIDE ION, GLYCEROL, H-NOX domain protein, ... | Authors: | van den Akker, F, Kumar, V, Schaefer, M. | Deposit date: | 2021-01-20 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042). J.Med.Chem., 64, 2021
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8GFF
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8GFC
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8GFQ
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8GFE
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8GFG
| Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z7912 inhibitor | Descriptor: | (3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2023-03-08 | Release date: | 2023-05-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds. Protein Sci., 32, 2023
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8GEZ
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8GF0
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8GFB
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8GFL
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8GFD
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8GF1
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