1P42
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CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS LPXC DEACETYLASE (ZINC-INHIBITED FORM)
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, MYRISTIC ACID
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:2017-10-11
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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RDC REFINED SOLUTION STRUCTURE OF THE AALPXC/TU-514 COMPLEX
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL
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:2011-07-13
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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CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS LPXC DEACETYLASE COMPLEXED WITH PALMITATE
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, CHLORIDE ION, ...
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:2011-07-13
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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CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS LPXC DEACETYLASE COMPLEXED WITH CACODYLATE
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, CACODYLATE ION, ...
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:2011-07-13
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:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, CHLORIDE ION, ...
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:2011-07-13
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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CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS LPXC COMPLEXED WITH TU-514
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, CHLORIDE ION, ...
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:2011-07-13
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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CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS LPXC COMPLEXED WITH URIDINE 5'-DIPHOSPHATE
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Gennadios, H.A., Christianson, D.W.
Deposit date:2006-09-19
Release date:2007-01-09
Last modified:2011-07-13
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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CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS LPXC COMPLEXED WITH PYROPHOSPHATE
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, PYROPHOSPHATE 2-, ...
Authors:Gennadios, H.A., Christianson, D.W.
Deposit date:2006-09-19
Release date:2007-01-09
Last modified:2018-04-04
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:UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE DEACETYLASE, ZINC ION, CHLORIDE ION, ...
Authors:Buetow, L., Dawson, A., Hunter, W.N.
Deposit date:2006-09-26
Release date:2006-11-08
Last modified:2011-07-13
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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SOLUTION STRUCTURE OF THE AQUIFEX AEOLICUS LPXC- CHIR-090 COMPLEX
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
Authors:Barb, A.W., Jiang, L., Raetz, C.R.H., Zhou, P.
Deposit date:2007-07-18
Release date:2007-12-04
Last modified:2018-03-14
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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X-RAY CRYSTAL STRUCTURE OF LPXC COMPLEXED WITH 3-HEPTYLOXYBENZOATE
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, SULFATE ION, ZINC ION, ...
Authors:Gennadios, H.A., Whittington, D.A., Christianson, D.W.
Deposit date:2006-12-02
Release date:2007-02-27
Last modified:2011-07-13
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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CRYSTAL STRUCTURE OF LPXC FROM PSEUDOMONAS AERUGINOSA COMPLEXED WITH THE POTENT BB-78485 INHIBITOR
Descriptor:UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, ...
Authors:Mochalkin, I., Knafels, J.D.
Deposit date:2007-10-26
Release date:2008-01-15
Last modified:2018-09-19
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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STRUCTURE OF LPXC FROM YERSINIA ENTEROCOLITICA COMPLEXED WITH CHIR090 INHIBITOR
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, ZINC ION, ...
Authors:Cole, K.E., Christianson, D.W.
Deposit date:2010-07-16
Release date:2011-01-05
Last modified:2012-02-22
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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CRYSTAL STRUCTURE OF THE AQUIFEX AEOLICUS LPXC/LPC-009 COMPLEX
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
Authors:Lee, C.-J., Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2018-01-24
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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CRYSTAL STRUCTURE OF THE PSEUDOMONAS AERUGINOSA LPXC/LPC-009 COMPLEX
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
Authors:Lee, C.-J., Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2018-01-24
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:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, IMIDAZOLE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide, ...
Authors:Orth, P.
Deposit date:2010-10-12
Release date:2011-02-09
Last modified:2011-07-13
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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POTENT INHIBITORS OF LPXC FOR THE TREATMENT OF GRAM-NEGATIVE INFECTIONS
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide
Authors:Brown, M., Abramite, J., Liu, S.
Deposit date:2011-09-30
Release date:2012-01-04
Last modified:2013-01-02
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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UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE DEACETYLASE IN COMPLEX WITH INHIBITOR
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide, ...
Authors:Montgomery, J., Liu, S.
Deposit date:2011-11-03
Release date:2012-02-01
Last modified:2013-01-02
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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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:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-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:2017-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of the LpxC
to be published
4FW4
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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:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, 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:2017-11-15
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:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, 4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide, ...
Authors:Kang, Y.N., Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2017-11-15
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:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide, ...
Authors:Kang, Y.N., Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2017-11-15
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:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, 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:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the LpxC
to be published
4J3D
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PSEUDOMONAS AERUGINOSA LPXC IN COMPLEX WITH A HYDROXAMATE INHIBITOR
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide
Authors:Lahiri, S.
Deposit date:2013-02-05
Release date:2013-04-03
Last modified:2018-02-07
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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CRYSTAL STRUCTURE OF THE PSEUDOMONAS AERUGINOSA LPXC/LPC-014 COMPLEX
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-histidinamide, ...
Authors:Lee, C.-J., Zhou, P.
Deposit date:2013-06-21
Release date:2013-08-21
Last modified:2017-11-15
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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