Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

8E4A
DownloadVisualize
BU of 8e4a by Molmil
Pseudomonas LpxC in complex with LPC-233
分子名称: 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Najeeb, J, Zhou, P.
登録日2022-08-17
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
2VES
DownloadVisualize
BU of 2ves by Molmil
Crystal Structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor
分子名称: (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, SULFATE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Mochalkin, I, Knafels, J.D.
登録日2007-10-26
公開日2008-01-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor.
Protein Sci., 17, 2008
2O3Z
DownloadVisualize
BU of 2o3z by Molmil
X-ray crystal structure of LpxC complexed with 3-heptyloxybenzoate
分子名称: 3-(heptyloxy)benzoic acid, CHLORIDE ION, SULFATE ION, ...
著者Gennadios, H.A, Whittington, D.A, Christianson, D.W.
登録日2006-12-02
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC.
Bioorg.Med.Chem., 15, 2007
1P42
DownloadVisualize
BU of 1p42 by Molmil
Crystal structure of Aquifex aeolicus LpxC Deacetylase (Zinc-Inhibited Form)
分子名称: MYRISTIC ACID, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Whittington, D.A, Rusche, K.M, Shin, H, Fierke, C.A, Christianson, D.W.
登録日2003-04-21
公開日2003-06-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of LpxC, a Zinc-Dependent Deacetylase Essential for Endotoxin Biosynthesis
Proc.Natl.Acad.Sci.USA, 100, 2003
5N8C
DownloadVisualize
BU of 5n8c by Molmil
Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor
分子名称: (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J.
登録日2017-02-23
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based discovery of LpxC inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4LCH
DownloadVisualize
BU of 4lch by Molmil
Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-051 complex
分子名称: (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-beta-methyl-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Lee, C.-J, Zhou, P.
登録日2013-06-21
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.596 Å)
主引用文献Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
4LCF
DownloadVisualize
BU of 4lcf by Molmil
Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-014 complex
分子名称: NITRATE ION, Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-histidinamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Lee, C.-J, Zhou, P.
登録日2013-06-21
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
3U1Y
DownloadVisualize
BU of 3u1y by Molmil
Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections
分子名称: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Brown, M, Abramite, J, Liu, S.
登録日2011-09-30
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent inhibitors of LpxC for the treatment of Gram-negative infections.
J.Med.Chem., 55, 2012
4J3D
DownloadVisualize
BU of 4j3d by Molmil
Pseudomonas aeruginosa LpxC in complex with a hydroxamate inhibitor
分子名称: N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Lahiri, S.
登録日2013-02-05
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the UDP pocket of LpxC through amino acid analogs.
Bioorg.Med.Chem.Lett., 23, 2013
7K99
DownloadVisualize
BU of 7k99 by Molmil
Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19
分子名称: (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol, GLYCEROL, SULFATE ION, ...
著者Sacco, M, Chen, Y.
登録日2020-09-28
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
4U3B
DownloadVisualize
BU of 4u3b by Molmil
LpxC from A.Aaeolicus in complex with the MMP inhibitor 4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohydroxamic acid - compound 2
分子名称: 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide, CHLORIDE ION, IMIDAZOLE, ...
著者Olivier, N.B.
登録日2014-07-19
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
4U3D
DownloadVisualize
BU of 4u3d by Molmil
LpxC from A.Aaeolicus in complex with 4-[[4-[2-[4-(morpholinomethyl)phenyl]ethynyl]phenoxy]methyl]tetrahydropyran-4-carbohydroxamic acid (compound 9)
分子名称: CHLORIDE ION, IMIDAZOLE, N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide, ...
著者Olivier, N.B.
登録日2014-07-19
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
7K9A
DownloadVisualize
BU of 7k9a by Molmil
Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide, ...
著者Sacco, M, Chen, Y.
登録日2020-09-29
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
6MAE
DownloadVisualize
BU of 6mae by Molmil
CHAIN A. UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase PA-LPXC Complexed with (R)-3-((S)-3-(4-(cyclopropylethynyl)phenyl)-2-oxooxazolidin-5-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)propenamide
分子名称: (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Shu, W.
登録日2018-08-27
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline.
J. Med. Chem., 61, 2018
4LCG
DownloadVisualize
BU of 4lcg by Molmil
Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-050 complex
分子名称: (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Lee, C.-J, Zhou, P.
登録日2013-06-21
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.568 Å)
主引用文献Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
3UHM
DownloadVisualize
BU of 3uhm by Molmil
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase in complex with inhibitor
分子名称: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide, 1,2-ETHANEDIOL, GUANIDINE, ...
著者Montgomery, J, Liu, S.
登録日2011-11-03
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Pyridone methylsulfone hydroxamate LpxC inhibitors for the treatment of serious gram-negative infections.
J.Med.Chem., 55, 2012
6MO5
DownloadVisualize
BU of 6mo5 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50228 complex
分子名称: MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
著者Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
登録日2018-10-04
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MOO
DownloadVisualize
BU of 6moo by Molmil
Co-Crystal structure of P. aeruginosa LpxC-achn975 complex
分子名称: N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
登録日2018-10-04
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MO4
DownloadVisualize
BU of 6mo4 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50067 complex
分子名称: MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
著者Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
登録日2018-10-04
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MOD
DownloadVisualize
BU of 6mod by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50432 complex
分子名称: GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ...
著者Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
登録日2018-10-04
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
4OZE
DownloadVisualize
BU of 4oze by Molmil
A.aolicus LpxC in complex with native product
分子名称: CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ...
著者Olivier, N.B.
登録日2014-02-15
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Mechanistic insight from the crystal structure of A.aolicus LpxC in the presence of product
To Be Published
4OKG
DownloadVisualize
BU of 4okg by Molmil
LpxC from P.aeruginosa with the inhibitor 6-(benzimidazol-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid
分子名称: 6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Olivier, N.B, Lahiri, S.D, Prince, D.B.
登録日2014-01-22
公開日2014-09-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Overexpression of Pseudomonas aeruginosa LpxC in the Presence of an Inhibitor in an acrB Deletion Escherichia coli strain for Structural Studies
Protein Express.Purif., 2014
4MQY
DownloadVisualize
BU of 4mqy by Molmil
Crystal Structure of the Escherichia coli LpxC/LPC-138 complex
分子名称: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2013-09-17
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
1YHC
DownloadVisualize
BU of 1yhc by Molmil
Crystal structure of Aquifex aeolicus LpxC deacetylase complexed with cacodylate
分子名称: CACODYLATE ION, CHLORIDE ION, GLYCEROL, ...
著者Hernick, M, Gennadios, H.A, Whittington, D.A, Rusche, K.M, Christianson, D.W, Fierke, C.A.
登録日2005-01-07
公開日2005-02-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine Deacetylase Functions through a General Acid-Base Catalyst Pair Mechanism
J.Biol.Chem., 280, 2005
1XXE
DownloadVisualize
BU of 1xxe by Molmil
RDC refined solution structure of the AaLpxC/TU-514 complex
分子名称: 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Coggins, B.E, McClerren, A.L, Jiang, L, Li, X, Rudolph, J, Hindsgaul, O, Raetz, C.R.H, Zhou, P.
登録日2004-11-04
公開日2004-11-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refined Solution Structure of the LpxC-TU-514 Complex and pK(a) Analysis of an Active Site Histidine: Insights into the Mechanism and Inhibitor Design
Biochemistry, 44, 2005

 

1234>

225158

件を2024-09-18に公開中

PDB statisticsPDBj update infoContact PDBjnumon