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PDB: 23 件
7UMW
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Crystal structure of E. Coli FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)
分子名称: (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hajian, B.
登録日2022-04-08
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
7UM8
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Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
分子名称: (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hajian, B.
登録日2022-04-06
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
1QSG
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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
1QG6
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CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE), TRICLOSAN
著者Rowsell, S, Pauptit, R.A.
登録日1999-04-20
公開日1999-09-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Kinetic and structural characteristics of the inhibition of enoyl (acyl carrier protein) reductase by triclosan.
Biochemistry, 38, 1999
3PJF
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BU of 3pjf by Molmil
Structure of ENR G93V mutant-NAD+-triclosan complex
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Kim, H.T, Shin, D.G, Chang, H.J.
登録日2010-11-10
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of triclosan resistance
J.Struct.Biol., 174, 2011
5CFZ
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Crystal structure of E. coli FabI in apo form
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
著者Jordan, C.A, Vey, J.L.
登録日2015-07-08
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
1C14
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CRYSTAL STRUCTURE OF E COLI ENOYL REDUCTASE-NAD+-TRICLOSAN COMPLEX
分子名称: ENOYL REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Qiu, X, Janson, C, Court, R, Smyth, M, Payne, D, Abdel-Meguid, S.
登録日1999-07-20
公開日2000-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for triclosan activity involves a flipping loop in the active site.
Protein Sci., 8, 1999
5CG1
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Crystal structure of E. coli FabI bound to the carbamoylated benzodiazaborine inhibitor 14b.
分子名称: 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Jordan, C.A, Vey, J.L.
登録日2015-07-09
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
1DFI
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X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD
分子名称: ENOYL ACYL CARRIER PROTEIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Baldock, C, Rafferty, J.B, Rice, D.W.
登録日1997-01-16
公開日1998-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A mechanism of drug action revealed by structural studies of enoyl reductase.
Science, 274, 1996
5CG2
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Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b.
分子名称: 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Jordan, C.A, Vey, J.L.
登録日2015-07-09
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
1DFH
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X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD AND THIENO-DIAZABORINE
分子名称: 6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL, ENOYL ACYL CARRIER PROTEIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Baldock, C, Rafferty, J.B, Rice, D.W.
登録日1997-01-16
公開日1998-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A mechanism of drug action revealed by structural studies of enoyl reductase.
Science, 274, 1996
1D8A
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E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX
分子名称: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Levy, C.W, Roujeinikova, A, Sedelnikova, S, Baker, P.J, Stuitje, A.R, Slabas, A.R, Rice, D.W, Rafferty, J.B.
登録日1999-10-21
公開日1999-10-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of triclosan activity.
Nature, 398, 1999
1MFP
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E. coli Enoyl Reductase in complex with NAD and SB611113
分子名称: (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F.
登録日2002-08-13
公開日2003-05-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK
J.MED.CHEM., 46, 2003
1I30
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E. Coli Enoyl Reductase +NAD+SB385826
分子名称: 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X.
登録日2001-02-12
公開日2002-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents.
Bioorg.Med.Chem.Lett., 11, 2001
1LXC
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Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Acrylamide Inhibitor
分子名称: 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Miller, W.H, Seefeld, M.A, Newlander, K.A, Uzinskas, I.N, Burgess, W.J, Heerding, D.A, Yuan, C.C.K, Head, M.S, Payne, D.J, Rittenhouse, S.F, Moore, T.D, Pearson, S.C, Dewolf, V, Berry, W.E, Keller, P.M, Polizzi, B.J, Qiu, X, Janson, C.A, Huffman, W.F.
登録日2002-06-05
公開日2002-09-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
1LX6
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Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor
分子名称: 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Smith, W.W, Qiu, X, Janson, C.A.
登録日2002-06-04
公開日2002-09-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
1DFG
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X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD AND BENZO-DIAZABORINE
分子名称: 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ENOYL ACYL CARRIER PROTEIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Baldock, C, Rafferty, J.B, Rice, D.W.
登録日1997-01-16
公開日1998-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A mechanism of drug action revealed by structural studies of enoyl reductase.
Science, 274, 1996
3PJE
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BU of 3pje by Molmil
Structure of ENR G93S mutant-NAD+-triclosan complex
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Kim, H.T, Shin, D.G, Chang, H.J.
登録日2010-11-10
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of triclosan resistance
J.Struct.Biol., 174, 2011
3PJD
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Structure of ENR G93A mutant-NAD+-Triclosan complex
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Kim, H.T, Shin, D.G, Chang, H.J.
登録日2010-11-10
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of triclosan resistance
J.Struct.Biol., 174, 2011
2FHS
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BU of 2fhs by Molmil
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
1I2Z
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E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654
分子名称: 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X.
登録日2001-02-12
公開日2002-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
4JQC
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Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AFN-1252
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Subramanya, H, Rao, K.N, Anirudha, L.
登録日2013-03-20
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AFN-1252
TO BE PUBLISHED
4JX8
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Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AEA16
分子名称: 6-{(1E)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Subramanya, H, Rao, K.N, Anirudha, L.
登録日2013-03-28
公開日2014-04-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AEA16
To be Published

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