PDB: 88 件ウェブページステータス検索Chemie searchBIRD

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1P42	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
1XXE	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
1YH8	Crystal structure of Aquifex aeolicus LpxC deacetylase complexed with palmitate 分子名称: CHLORIDE ION, PALMITOLEIC ACID, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... 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 (2.7 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
1YHC	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
2GO3	Crystal structure of Aquifex aeolicus LpxC complexed with imidazole. 分子名称: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... 著者 Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W. 登録日 2006-04-12 公開日 2006-07-04 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase Biochemistry, 45, 2006
2GO4	Crystal structure of Aquifex aeolicus LpxC complexed with TU-514 分子名称: 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, ... 著者 Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W. 登録日 2006-04-12 公開日 2006-07-04 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase Biochemistry, 45, 2006
2IER	Crystal Structure of Aquifex aeolicus LpxC Complexed with Uridine 5'-Diphosphate 分子名称: GLYCEROL, PALMITIC ACID, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... 著者 Gennadios, H.A, Christianson, D.W. 登録日 2006-09-19 公開日 2007-01-09 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Binding of Uridine 5-Diphosphate in the Basic Patch of the Zinc Metalloenzyme Deacetylase LpxC and Implications for Substrate Binding Biochemistry, 45, 2006
2IES	Crystal Structure of Aquifex aeolicus LpxC Complexed with Pyrophosphate 分子名称: CHLORIDE ION, PALMITIC ACID, PYROPHOSPHATE 2-, ... 著者 Gennadios, H.A, Christianson, D.W. 登録日 2006-09-19 公開日 2007-01-09 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Binding of Uridine 5-Diphosphate in the Basic Patch of the Zinc Metalloenzyme Deacetylase LpxC and Implications for Substrate Binding Biochemistry, 45, 2006
2J65	Structure of LpxC from Aquifex aeolicus in complex with UDP 分子名称: CHLORIDE ION, MYRISTIC ACID, UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE DEACETYLASE, ... 著者 Buetow, L, Dawson, A, Hunter, W.N. 登録日 2006-09-26 公開日 2006-11-08 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The Nucleotide-Binding Site of Aquifex Aeolicus Lpxc. Acta Crystallogr.,Sect.F, 62, 2006
2JT2	Solution Structure of the Aquifex aeolicus LpxC- CHIR-090 complex 分子名称: 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 著者 Barb, A.W, Jiang, L, Raetz, C.R.H, Zhou, P. 登録日 2007-07-18 公開日 2007-12-04 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 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	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
2VES	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
3NZK	Structure of LpxC from Yersinia enterocolitica Complexed with CHIR090 Inhibitor 分子名称: 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, ... 著者 Cole, K.E, Christianson, D.W. 登録日 2010-07-16 公開日 2011-01-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of the Metal-Dependent Deacetylase LpxC from Yersinia enterocolitica Complexed with the Potent Inhibitor CHIR-090 . Biochemistry, 50, 2010
3P3C	Crystal Structure of the Aquifex aeolicus LpxC/LPC-009 complex 分子名称: 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, ... 著者 Lee, C.-J, Zhou, P. 登録日 2010-10-04 公開日 2011-01-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design. Chem.Biol., 18, 2011
3P3E	Crystal Structure of the PSEUDOMONAS AERUGINOSA LpxC/LPC-009 complex 分子名称: N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, NITRATE ION, SODIUM ION, ... 著者 Lee, C.-J, Zhou, P. 登録日 2010-10-04 公開日 2011-01-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design. Chem.Biol., 18, 2011
3P76	X-ray crystal structure of Aquifex aeolicus LpxC complexed SCH1379777 分子名称: IMIDAZOLE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... 著者 Orth, P. 登録日 2010-10-12 公開日 2011-02-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Design and synthesis of potent Gram-negative specific LpxC inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3U1Y	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
3UHM	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
4FW3	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 分子名称: 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, ... 著者 Kang, Y.N, Stuckey, J.A. 登録日 2012-06-29 公開日 2013-05-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Crystal Structure of the LpxC to be published
4FW4	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 分子名称: ACETATE ION, GLYCEROL, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ... 著者 Kang, Y.N, Stuckey, J.A. 登録日 2012-06-29 公開日 2013-05-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Crystal Structure of the LpxC to be published
4FW5	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 分子名称: 4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide, ACETATE ION, GLYCEROL, ... 著者 Kang, Y.N, Stuckey, J.A. 登録日 2012-06-29 公開日 2013-05-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Crystal Structure of the LpxC to be published
4FW6	Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]-4-(PHENYLETHYNYL)BENZAMIDE inhibitor 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Kang, Y.N, Stuckey, J.A. 登録日 2012-06-29 公開日 2013-05-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Crystal Structure of the LpxC to be published
4FW7	Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor 分子名称: ACETATE ION, GLYCEROL, N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide, ... 著者 Kang, Y.N, Stuckey, J.A. 登録日 2012-06-30 公開日 2013-05-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal Structure of the LpxC to be published
4J3D	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
4LCF	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

 

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