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PDB: 116 results

8URN
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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
6VOT
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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
7UTB
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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
6PXX
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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
6VJE
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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
7TB7
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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
7TBX
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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
7TC1
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Crystal structure of D179N KPC-2 beta-lactamase in complex with vaborbactam
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION, Vaborbactam
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 (1.16 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
6MPQ
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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
6B1J
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Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by soaking
Descriptor: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ...
Authors:van den Akker, F, Nguyen, N.Q.
Deposit date:2017-09-18
Release date:2018-08-01
Method:X-RAY DIFFRACTION (1.6 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
6B1F
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Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by soaking
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, 1,2-ETHANEDIOL, CITRIC ACID, ...
Authors:van den Akker, F, Nguyen, N.Q.
Deposit date:2017-09-18
Release date:2018-08-01
Method:X-RAY DIFFRACTION (1.44 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
6B1X
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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
6B1H
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Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by co-crystallization
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, ACETATE ION, CHLORIDE ION, ...
Authors:van den Akker, F, Nhuyen, N.Q.
Deposit date:2017-09-18
Release date:2018-08-01
Method:X-RAY DIFFRACTION (1.8 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
6B1W
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Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by co-crystallization
Descriptor: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ...
Authors:van den Akker, F, Nguyen, N.Q.
Deposit date:2017-09-19
Release date:2018-08-01
Method:X-RAY DIFFRACTION (1.73 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
6B1Y
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Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by co-crystallization
Descriptor: (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ...
Authors:van den Akker, F, Nguyen, N.Q.
Deposit date:2017-09-19
Release date:2018-08-01
Method:X-RAY DIFFRACTION (1.8 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
6B22
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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
1LTG
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BU of 1ltg by Molmil
THE ARG7LYS MUTANT OF HEAT-LABILE ENTEROTOXIN EXHIBITS GREAT FLEXIBILITY OF ACTIVE SITE LOOP 47-56 OF THE A SUBUNIT
Descriptor: HEAT-LABILE ENTEROTOXIN
Authors:Van Den Akker, F, Hol, W.G.J.
Deposit date:1995-06-13
Release date:1995-09-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Arg7Lys mutant of heat-labile enterotoxin exhibits great flexibility of active site loop 47-56 of the A subunit.
Biochemistry, 34, 1995
6CFC
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Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Bulgecin A
Descriptor: 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, Lytic transglycosylase, SULFATE ION
Authors:van den Akker, F, Kumar, V.
Deposit date:2018-02-14
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni.
PLoS ONE, 13, 2018
6CF8
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Crystal structure of Cj0843 lytic transglycosylase of Campylobacter jejuni at 1.87A resolution
Descriptor: Lytic transglycosylase, SULFATE ION
Authors:van den Akker, F, Kumar, V, Vijayaraghavan, J.
Deposit date:2018-02-13
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni.
PLoS ONE, 13, 2018
3V5M
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BU of 3v5m by Molmil
Crystal structure of M69V mutant of SHV beta-lactamase
Descriptor: Beta-lactamase, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:van den Akker, F, Rodkey, E.A.
Deposit date:2011-12-16
Release date:2012-08-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants.
Chemmedchem, 7, 2012
1LT3
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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
1LT4
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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
8GF0
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BU of 8gf0 by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8044 inhibitor
Descriptor: 2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-07
Release date:2023-05-24
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (1.89 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
8GEZ
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Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8036 inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-07
Release date:2023-05-24
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (1.99 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
8GFB
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Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Fv16b inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, 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 (2.17 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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