6B1X
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![BU of 6b1x by Molmil](/molmil-images/mine/6b1x) | Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by soaking | Descriptor: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | van den Akker, F, Nguyen, N.Q. | Deposit date: | 2017-09-19 | Release date: | 2018-08-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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6CFC
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![BU of 6cfc by Molmil](/molmil-images/mine/6cfc) | |
8GFJ
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![BU of 8gfj by Molmil](/molmil-images/mine/8gfj) | |
8GFM
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![BU of 8gfm by Molmil](/molmil-images/mine/8gfm) | |
8GFH
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![BU of 8gfh by Molmil](/molmil-images/mine/8gfh) | |
8GFI
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8GFP
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![BU of 8gfp by Molmil](/molmil-images/mine/8gfp) | Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with N-acetyl-2,3-dehydro-2-deoxyneuraminic acid inhibitor | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CITRIC ACID, Lytic transglycosylase domain-containing protein, ... | 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 (2.07 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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8GFS
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![BU of 8gfs by Molmil](/molmil-images/mine/8gfs) | Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with siastatin B inhibitor | Descriptor: | (2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium, CITRIC ACID, Lytic transglycosylase domain-containing protein | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2023-03-08 | Release date: | 2023-05-24 | Last modified: | 2023-07-05 | Method: | X-RAY DIFFRACTION (2.38 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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6B22
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![BU of 6b22 by Molmil](/molmil-images/mine/6b22) | Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION | Authors: | van den Akker, F, Nguyen, N.Q. | Deposit date: | 2017-09-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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6MPQ
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![BU of 6mpq by Molmil](/molmil-images/mine/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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6VJE
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![BU of 6vje by Molmil](/molmil-images/mine/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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7LGK
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![BU of 7lgk by Molmil](/molmil-images/mine/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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7LY1
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7LC4
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![BU of 7lc4 by Molmil](/molmil-images/mine/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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3MKF
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![BU of 3mkf by Molmil](/molmil-images/mine/3mkf) | SHV-1 beta-lactamase complex with GB0301 | Descriptor: | ({[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | van den Akker, F, Ke, W. | Deposit date: | 2010-04-14 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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3MKE
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![BU of 3mke by Molmil](/molmil-images/mine/3mke) | SHV-1 beta-lactamase complex with LP06 | Descriptor: | 2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{S})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... | Authors: | van den Akker, F, Ke, W. | Deposit date: | 2010-04-14 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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7LAM
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![BU of 7lam by Molmil](/molmil-images/mine/7lam) | Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N',N''-triacetylchitotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ... | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2021-01-06 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni . Biochemistry, 60, 2021
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7LAQ
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7KIT
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![BU of 7kit by Molmil](/molmil-images/mine/7kit) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with WCK 4234 | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Peptidoglycan D,D-transpeptidase FtsI | Authors: | van den Akker, F. | Deposit date: | 2020-10-24 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. Mbio, 12, 2021
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7KIV
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![BU of 7kiv by Molmil](/molmil-images/mine/7kiv) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase FtsI | Authors: | van den Akker, F. | Deposit date: | 2020-10-24 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.389 Å) | Cite: | Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. Mbio, 12, 2021
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7KIW
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![BU of 7kiw by Molmil](/molmil-images/mine/7kiw) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam | Descriptor: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Peptidoglycan D,D-transpeptidase FtsI | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2020-10-25 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. Mbio, 12, 2021
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1LTG
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2H0Y
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2H0T
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1LT3
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![BU of 1lt3 by Molmil](/molmil-images/mine/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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