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1P42
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BU of 1p42 by Molmil
Crystal structure of Aquifex aeolicus LpxC Deacetylase (Zinc-Inhibited Form)
Descriptor: MYRISTIC ACID, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
Authors:Whittington, D.A, Rusche, K.M, Shin, H, Fierke, C.A, Christianson, D.W.
Deposit date:2003-04-21
Release date:2003-06-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of LpxC, a Zinc-Dependent Deacetylase Essential for Endotoxin Biosynthesis
Proc.Natl.Acad.Sci.USA, 100, 2003
1XXE
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BU of 1xxe by Molmil
RDC refined solution structure of the AaLpxC/TU-514 complex
Descriptor: 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
Authors:Coggins, B.E, McClerren, A.L, Jiang, L, Li, X, Rudolph, J, Hindsgaul, O, Raetz, C.R.H, Zhou, P.
Deposit date:2004-11-04
Release date:2004-11-23
Last modified:2022-03-02
Method:SOLUTION NMR
Cite: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
1YH8
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BU of 1yh8 by Molmil
Crystal structure of Aquifex aeolicus LpxC deacetylase complexed with palmitate
Descriptor: CHLORIDE ION, PALMITOLEIC ACID, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Hernick, M, Gennadios, H.A, Whittington, D.A, Rusche, K.M, Christianson, D.W, Fierke, C.A.
Deposit date:2005-01-07
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine Deacetylase Functions through a General Acid-Base Catalyst Pair Mechanism
J.Biol.Chem., 280, 2005
1YHC
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BU of 1yhc by Molmil
Crystal structure of Aquifex aeolicus LpxC deacetylase complexed with cacodylate
Descriptor: CACODYLATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Hernick, M, Gennadios, H.A, Whittington, D.A, Rusche, K.M, Christianson, D.W, Fierke, C.A.
Deposit date:2005-01-07
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine Deacetylase Functions through a General Acid-Base Catalyst Pair Mechanism
J.Biol.Chem., 280, 2005
2GO3
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Crystal structure of Aquifex aeolicus LpxC complexed with imidazole.
Descriptor: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
Authors:Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W.
Deposit date:2006-04-12
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
2GO4
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BU of 2go4 by Molmil
Crystal structure of Aquifex aeolicus LpxC complexed with TU-514
Descriptor: 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W.
Deposit date:2006-04-12
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
2IER
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BU of 2ier by Molmil
Crystal Structure of Aquifex aeolicus LpxC Complexed with Uridine 5'-Diphosphate
Descriptor: GLYCEROL, PALMITIC ACID, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Gennadios, H.A, Christianson, D.W.
Deposit date:2006-09-19
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding of Uridine 5-Diphosphate in the Basic Patch of the Zinc Metalloenzyme Deacetylase LpxC and Implications for Substrate Binding
Biochemistry, 45, 2006
2IES
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BU of 2ies by Molmil
Crystal Structure of Aquifex aeolicus LpxC Complexed with Pyrophosphate
Descriptor: CHLORIDE ION, PALMITIC ACID, PYROPHOSPHATE 2-, ...
Authors:Gennadios, H.A, Christianson, D.W.
Deposit date:2006-09-19
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Binding of Uridine 5-Diphosphate in the Basic Patch of the Zinc Metalloenzyme Deacetylase LpxC and Implications for Substrate Binding
Biochemistry, 45, 2006
2J65
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Structure of LpxC from Aquifex aeolicus in complex with UDP
Descriptor: CHLORIDE ION, MYRISTIC ACID, UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE DEACETYLASE, ...
Authors:Buetow, L, Dawson, A, Hunter, W.N.
Deposit date:2006-09-26
Release date:2006-11-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Nucleotide-Binding Site of Aquifex Aeolicus Lpxc.
Acta Crystallogr.,Sect.F, 62, 2006
2JT2
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BU of 2jt2 by Molmil
Solution Structure of the Aquifex aeolicus LpxC- CHIR-090 complex
Descriptor: N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
Authors:Barb, A.W, Jiang, L, Raetz, C.R.H, Zhou, P.
Deposit date:2007-07-18
Release date:2007-12-04
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Structure of the deacetylase LpxC bound to the antibiotic CHIR-090: Time-dependent inhibition and specificity in ligand binding
Proc.Natl.Acad.Sci.Usa, 104, 2007
2O3Z
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BU of 2o3z by Molmil
X-ray crystal structure of LpxC complexed with 3-heptyloxybenzoate
Descriptor: 3-(heptyloxy)benzoic acid, CHLORIDE ION, SULFATE ION, ...
Authors:Gennadios, H.A, Whittington, D.A, Christianson, D.W.
Deposit date:2006-12-02
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC.
Bioorg.Med.Chem., 15, 2007
2VES
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BU of 2ves by Molmil
Crystal Structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor
Descriptor: (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, SULFATE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mochalkin, I, Knafels, J.D.
Deposit date:2007-10-26
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor.
Protein Sci., 17, 2008
3NZK
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BU of 3nzk by Molmil
Structure of LpxC from Yersinia enterocolitica Complexed with CHIR090 Inhibitor
Descriptor: GLYCEROL, N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Cole, K.E, Christianson, D.W.
Deposit date:2010-07-16
Release date:2011-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Metal-Dependent Deacetylase LpxC from Yersinia enterocolitica Complexed with the Potent Inhibitor CHIR-090 .
Biochemistry, 50, 2010
3P3C
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BU of 3p3c by Molmil
Crystal Structure of the Aquifex aeolicus LpxC/LPC-009 complex
Descriptor: N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Chem.Biol., 18, 2011
3P3E
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BU of 3p3e by Molmil
Crystal Structure of the PSEUDOMONAS AERUGINOSA LpxC/LPC-009 complex
Descriptor: N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, NITRATE ION, SODIUM ION, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Chem.Biol., 18, 2011
3P76
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X-ray crystal structure of Aquifex aeolicus LpxC complexed SCH1379777
Descriptor: IMIDAZOLE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Orth, P.
Deposit date:2010-10-12
Release date:2011-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design and synthesis of potent Gram-negative specific LpxC inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3U1Y
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BU of 3u1y by Molmil
Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections
Descriptor: (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
Authors:Brown, M, Abramite, J, Liu, S.
Deposit date:2011-09-30
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent inhibitors of LpxC for the treatment of Gram-negative infections.
J.Med.Chem., 55, 2012
3UHM
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BU of 3uhm by Molmil
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase in complex with inhibitor
Descriptor: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide, 1,2-ETHANEDIOL, GUANIDINE, ...
Authors:Montgomery, J, Liu, S.
Deposit date:2011-11-03
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Pyridone methylsulfone hydroxamate LpxC inhibitors for the treatment of serious gram-negative infections.
J.Med.Chem., 55, 2012
4FW3
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BU of 4fw3 by Molmil
Crystal Structure of the LpxC in complex with N-[(2S)-3-AMINO-1-(HYDROXYAMINO)-1-OXOPROPAN-2-YL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor
Descriptor: GLYCEROL, N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of the LpxC
to be published
4FW4
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BU of 4fw4 by Molmil
Crystal Structure of the LpxC in complex with N-[(1S,2R)-2-HYDROXY-1-(HYDROXYCARBAMOYL)PROPYL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor
Descriptor: ACETATE ION, GLYCEROL, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of the LpxC
to be published
4FW5
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Crystal Structure of the LpxC in complex with 4'-BROMO-N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor
Descriptor: 4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of the LpxC
to be published
4FW6
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Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]-4-(PHENYLETHYNYL)BENZAMIDE inhibitor
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of the LpxC
to be published
4FW7
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Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor
Descriptor: ACETATE ION, GLYCEROL, N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-30
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the LpxC
to be published
4J3D
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BU of 4j3d by Molmil
Pseudomonas aeruginosa LpxC in complex with a hydroxamate inhibitor
Descriptor: N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
Authors:Lahiri, S.
Deposit date:2013-02-05
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the UDP pocket of LpxC through amino acid analogs.
Bioorg.Med.Chem.Lett., 23, 2013
4LCF
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BU of 4lcf by Molmil
Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-014 complex
Descriptor: 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, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-06-21
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013

 

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