5UGS
 
 | | Crystal structure of M. tuberculosis InhA inhibited by PT501 | | 分子名称: | 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | 登録日 | 2017-01-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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5UGU
 | | Crystal structure of M. tuberculosis InhA inhibited by PT506 | | 分子名称: | 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | 登録日 | 2017-01-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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5UGT
 | | Crystal structure of M. tuberculosis InhA inhibited by PT504 | | 分子名称: | 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | 登録日 | 2017-01-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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1MJ3
 | | Crystal Structure Analysis of rat enoyl-CoA hydratase in complex with hexadienoyl-CoA | | 分子名称: | ENOYL-COA HYDRATASE, MITOCHONDRIAL, HEXANOYL-COENZYME A | | 著者 | Bell, A.F, Feng, Y, Hofstein, H.A, Parikh, S, Wu, J, Rudolph, M.J, Kisker, C, Tonge, P.J. | | 登録日 | 2002-08-26 | | 公開日 | 2002-09-24 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Stereoselectivity of Enoyl-CoA Hydratase Results from Preferential Activation of
One of Two Bound Substrate Conformers
Chem.Biol., 9, 2002
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2EUA
 | | Structure and Mechanism of MenF, the Menaquinone-Specific Isochorismate Synthase from Escherichia Coli | | 分子名称: | D(-)-TARTARIC ACID, Menaquinone-specific isochorismate synthase | | 著者 | Kolappan, S, Kisker, C, Zwahlen, J, Zhou, R, Tonge, P.J. | | 登録日 | 2005-10-28 | | 公開日 | 2006-12-05 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Lysine 190 is the catalytic base in MenF, the menaquinone-specific isochorismate synthase from Escherichia coli: implications for an enzyme family.
Biochemistry, 46, 2007
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2FHS
 | | Structure of Acyl Carrier Protein Bound to FabI, the Enoyl Reductase from Escherichia Coli | | 分子名称: | Acyl carrier protein, enoyl-[acyl-carrier-protein] reductase, NADH-dependent | | 著者 | Kolappan, S, Novichenok, P, Rafi, S, Simmerling, C, Tonge, P.J, Kisker, C. | | 登録日 | 2005-12-27 | | 公開日 | 2006-10-17 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure of Acyl Carrier Protein Bound to FabI, the FASII Enoyl Reductase from Escherichia coli.
J.Biol.Chem., 281, 2006
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5I7V
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT02 | | 分子名称: | 2-phenoxy-5-propyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | 登録日 | 2016-02-18 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5I9L
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT404 | | 分子名称: | 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | 登録日 | 2016-02-20 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5I8Z
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT12 | | 分子名称: | 5-HEXYL-2-(4-NITROPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | 登録日 | 2016-02-19 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.623 Å) | | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5IFL
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and triclosan | | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | 登録日 | 2016-02-26 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5I7S
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT01 | | 分子名称: | 5-ETHYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | 登録日 | 2016-02-18 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.595 Å) | | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5I7F
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5I8W
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT401 | | 分子名称: | 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | 登録日 | 2016-02-19 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.629 Å) | | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5I9N
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT412 | | 分子名称: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | 登録日 | 2016-02-20 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.512 Å) | | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5I7E
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5I9M
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT408 | | 分子名称: | 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | 登録日 | 2016-02-20 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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1Q51
 | | Crystal Structure of Mycobacterium tuberculosis MenB in Complex with Acetoacetyl-Coenzyme A, a Key Enzyme in Vitamin K2 Biosynthesis | | 分子名称: | ACETOACETYL-COENZYME A, menB | | 著者 | Truglio, J.J, Theis, K, Feng, Y, Gajda, R, Machutta, C, Tonge, P.J, Kisker, C, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2003-08-05 | | 公開日 | 2004-01-27 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis.
J.Biol.Chem., 278, 2003
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1Q52
 | | Crystal Structure of Mycobacterium tuberculosis MenB, a Key Enzyme in Vitamin K2 Biosynthesis | | 分子名称: | menB | | 著者 | Truglio, J.J, Theis, K, Feng, Y, Gajda, R, Machutta, C, Tonge, P.J, Kisker, C, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2003-08-05 | | 公開日 | 2004-01-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis.
J.Biol.Chem., 278, 2003
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1QSG
 | | CRYSTAL STRUCTURE OF ENOYL REDUCTASE INHIBITION BY TRICLOSAN | | 分子名称: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN, ... | | 著者 | Stewart, M.J, Parikh, S, Xiao, G, Tonge, P.J, Kisker, C. | | 登録日 | 1999-06-21 | | 公開日 | 1999-07-21 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural basis and mechanism of enoyl reductase inhibition by triclosan.
J.Mol.Biol., 290, 1999
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4OXN
 | | Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA | | 分子名称: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... | | 著者 | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | 登録日 | 2014-02-05 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2926 Å) | | 主引用文献 | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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4OXK
 | | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | | 分子名称: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | 著者 | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | 登録日 | 2014-02-05 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8429 Å) | | 主引用文献 | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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4OYR
 | | Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding | | 分子名称: | 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | 登録日 | 2014-02-13 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2995 Å) | | 主引用文献 | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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4OXY
 | | Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA | | 分子名称: | 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | 登録日 | 2014-02-09 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3501 Å) | | 主引用文献 | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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2I6Y
 | | Structure and Mechanism of Mycobacterium tuberculosis Salicylate Synthase, MbtI | | 分子名称: | Anthranilate synthase component I, putative | | 著者 | Zwahlen, J, Subramaniapillai, K, Zhou, R, Kisker, C, Tonge, P.J. | | 登録日 | 2006-08-29 | | 公開日 | 2007-06-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure and mechanism of MbtI, the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 46, 2007
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2JJY
 | | Crystal structure of Francisella tularensis enoyl reductase (ftFabI) with bound NAD | | 分子名称: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Luckner, S.R, Lu, H, Truglio, J.J, Tonge, P.J, Kisker, C. | | 登録日 | 2008-04-25 | | 公開日 | 2009-02-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Slow-Onset Inhibition of the Fabi Enoyl Reductase from Francisella Tularensis: Residence Time and in Vivo Activity
Acs Chem.Biol., 4, 2009
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