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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
分子名称: 2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者van den Akker, F, Kumar, V.
登録日2023-03-07
公開日2023-05-24
最終更新日2023-07-05
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
8GFJ
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Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni dose-response soaking with 1 mM concentration Z7285 inhibitor (no inhibitor binding observed)
分子名称: CITRIC ACID, Lytic transglycosylase domain-containing protein
著者van den Akker, F, Kumar, V.
登録日2023-03-08
公開日2023-05-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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BU of 8gfb by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Fv16b inhibitor
分子名称: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
著者van den Akker, F, Kumar, V.
登録日2023-03-08
公開日2023-05-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
8GFL
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BU of 8gfl by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with 4-Nitrophenyl N,N' diacetyl-beta-D-chitobioside inhibitor
分子名称: 4-nitrophenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者van den Akker, F, Kumar, V.
登録日2023-03-08
公開日2023-05-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
8GFP
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BU of 8gfp by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with N-acetyl-2,3-dehydro-2-deoxyneuraminic acid inhibitor
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CITRIC ACID, Lytic transglycosylase domain-containing protein, ...
著者van den Akker, F, Kumar, V.
登録日2023-03-08
公開日2023-05-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
8GF1
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BU of 8gf1 by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8060 inhibitor
分子名称: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
著者van den Akker, F, Kumar, V.
登録日2023-03-07
公開日2023-05-24
最終更新日2023-07-05
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
8GFD
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BU of 8gfd by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z3252 inhibitor
分子名称: 2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者van den Akker, F, Kumar, V.
登録日2023-03-08
公開日2023-05-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
6B1J
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Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by soaking
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-18
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-18
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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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BU of 6b1x by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by soaking
分子名称: (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-19
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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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BU of 6b1h by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by co-crystallization
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, ACETATE ION, CHLORIDE ION, ...
著者van den Akker, F, Nhuyen, N.Q.
登録日2017-09-18
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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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BU of 6b1w by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by co-crystallization
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-19
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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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BU of 6b22 by Molmil
Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-19
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献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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BU of 6b1y by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by co-crystallization
分子名称: (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-19
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
6VJE
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BU of 6vje by Molmil
Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed with ceftobiprole
分子名称: (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
著者van den Akker, F, Kumar, V.
登録日2020-01-15
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Insights into Ceftobiprole Inhibition of Pseudomonas aeruginosa Penicillin-Binding Protein 3.
Antimicrob.Agents Chemother., 64, 2020
6CFC
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BU of 6cfc by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Bulgecin A
分子名称: 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, Lytic transglycosylase, SULFATE ION
著者van den Akker, F, Kumar, V.
登録日2018-02-14
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献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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BU of 6cf8 by Molmil
Crystal structure of Cj0843 lytic transglycosylase of Campylobacter jejuni at 1.87A resolution
分子名称: Lytic transglycosylase, SULFATE ION
著者van den Akker, F, Kumar, V, Vijayaraghavan, J.
登録日2018-02-13
公開日2018-05-30
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni.
PLoS ONE, 13, 2018
6CF9
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BU of 6cf9 by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni at 2.3A resolution in I23 space group
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, ACETATE ION, Lytic transglycosylase
著者van den Akker, F, Kumar, V.
登録日2018-02-13
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni.
PLoS ONE, 13, 2018
7LGK
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BU of 7lgk by Molmil
Crystal structure of soluble guanylate cyclase activator runcaciguat (BAY 1101042) bound to nostoc H-NOX domain
分子名称: CHLORIDE ION, GLYCEROL, H-NOX domain protein, ...
著者van den Akker, F, Kumar, V, Schaefer, M.
登録日2021-01-20
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042).
J.Med.Chem., 64, 2021
3V5M
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BU of 3v5m by Molmil
Crystal structure of M69V mutant of SHV beta-lactamase
分子名称: Beta-lactamase, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者van den Akker, F, Rodkey, E.A.
登録日2011-12-16
公開日2012-08-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants.
Chemmedchem, 7, 2012
7KIW
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BU of 7kiw by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F, Kumar, V.
登録日2020-10-25
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
7KIV
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BU of 7kiv by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F.
登録日2020-10-24
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
7KIT
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BU of 7kit by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with WCK 4234
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F.
登録日2020-10-24
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
3MKE
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BU of 3mke by Molmil
SHV-1 beta-lactamase complex with LP06
分子名称: 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, ...
著者van den Akker, F, Ke, W.
登録日2010-04-14
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
3MKF
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BU of 3mkf by Molmil
SHV-1 beta-lactamase complex with GB0301
分子名称: ({[(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
著者van den Akker, F, Ke, W.
登録日2010-04-14
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献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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