PDB: 87 件ウェブページステータス検索Chemie searchBIRD

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6IH0	Aquifex aeolicus LpxC complex with ACHN-975 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 Li, D.Y, Fan, S, Jin, Y.Y, Zhang, C, Lv, G.X, Wu, G.T, Yang, Z.Y. 登録日 2018-09-27 公開日 2019-01-30 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 The Complex Structure of Protein AaLpxC from Aquifex aeolicus with ACHN-975 Molecule Suggests an Inhibitory Mechanism at Atomic-Level against Gram-Negative Bacteria Molecules, 26, 2021
6CAX	Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PT805 分子名称: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2H-1,2,3-triazol-2-yl)phenyl]pyridin-1(2H)-yl}butanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2018-02-01 公開日 2019-02-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PT805 to be published
4U3D	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
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
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
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
4U3B	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 2019-10-16 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
6DUI	Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PT801 分子名称: (2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, (2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, 1,2-ETHANEDIOL, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2018-06-20 公開日 2019-06-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PT801 to be published
4LCG	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
5DRR	Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex 分子名称: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... 著者 Lee, C.-J, Najeeb, J, Zhou, P. 登録日 2015-09-16 公開日 2016-03-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
4LCH	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	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
7CIB	Crystal structure of P.aeruginosa LpxC in complex with inhibitor 分子名称: 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... 著者 Baker, L.M, Mima, M, Surgenor, A, Robertson, A. 登録日 2020-07-07 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
4OZE	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
5U86	Structure of the Aquifex aeolicus LpxC/LPC-069 complex 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ... 著者 Najeeb, J, Lee, C.-J, Zhou, P. 登録日 2016-12-13 公開日 2017-08-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC. MBio, 8, 2017
5DRQ	Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex 分子名称: N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... 著者 Lee, C.-J, Najeeb, J, Zhou, P. 登録日 2015-09-16 公開日 2016-03-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
6E54	Crystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT802 分子名称: (2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, (2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, CALCIUM ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2018-07-19 公開日 2019-06-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT802 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
5UPG	Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PF-5081090 分子名称: (2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2017-02-02 公開日 2017-03-29 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PF-5081090 to be published
6I46	Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide 分子名称: (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... 著者 Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. 登録日 2018-11-09 公開日 2019-12-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
5U39	Pseudomonas aeruginosa LpxC in complex with CHIR-090 分子名称: N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION 著者 Sprague, E.R. 登録日 2016-12-01 公開日 2017-06-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC. J. Med. Chem., 60, 2017
7CIC	Crystal structure of P.aeruginosa LpxC in complex with inhibitor 分子名称: 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION 著者 Baker, L.M, Mima, M, Surgenor, A, Robertson, A. 登録日 2020-07-07 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
7PJ2	LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria 分子名称: (2R,4R)-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION 著者 Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. 登録日 2021-08-23 公開日 2022-09-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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
5VWM	Crystal structure of UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC) from Pseudomonas aeruginosa in complex with CHIR-090 inhibitor 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2017-05-22 公開日 2017-06-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC) from Pseudomonas aeruginosa in complex with CHIR-090 inhibitor to be published

 

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