7UMW
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![BU of 7umw by Molmil](/molmil-images/mine/7umw) | 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) | Descriptor: | (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 | Authors: | Hajian, B. | Deposit date: | 2022-04-08 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 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
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7UM8
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![BU of 7um8 by Molmil](/molmil-images/mine/7um8) | 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 | Descriptor: | (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 | Authors: | Hajian, B. | Deposit date: | 2022-04-06 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
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1QSG
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![BU of 1qsg by Molmil](/molmil-images/mine/1qsg) | CRYSTAL STRUCTURE OF ENOYL REDUCTASE INHIBITION BY TRICLOSAN | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN, ... | Authors: | Stewart, M.J, Parikh, S, Xiao, G, Tonge, P.J, Kisker, C. | Deposit date: | 1999-06-21 | Release date: | 1999-07-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis and mechanism of enoyl reductase inhibition by triclosan. J.Mol.Biol., 290, 1999
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1QG6
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3PJF
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5CFZ
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![BU of 5cfz by Molmil](/molmil-images/mine/5cfz) | Crystal structure of E. coli FabI in apo form | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | Authors: | Jordan, C.A, Vey, J.L. | Deposit date: | 2015-07-08 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors. Acta Crystallogr.,Sect.F, 71, 2015
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1C14
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![BU of 1c14 by Molmil](/molmil-images/mine/1c14) | CRYSTAL STRUCTURE OF E COLI ENOYL REDUCTASE-NAD+-TRICLOSAN COMPLEX | Descriptor: | ENOYL REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Qiu, X, Janson, C, Court, R, Smyth, M, Payne, D, Abdel-Meguid, S. | Deposit date: | 1999-07-20 | Release date: | 2000-07-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for triclosan activity involves a flipping loop in the active site. Protein Sci., 8, 1999
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5CG1
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![BU of 5cg1 by Molmil](/molmil-images/mine/5cg1) | Crystal structure of E. coli FabI bound to the carbamoylated benzodiazaborine inhibitor 14b. | Descriptor: | 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Jordan, C.A, Vey, J.L. | Deposit date: | 2015-07-09 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors. Acta Crystallogr.,Sect.F, 71, 2015
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1DFI
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5CG2
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![BU of 5cg2 by Molmil](/molmil-images/mine/5cg2) | Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b. | Descriptor: | 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Jordan, C.A, Vey, J.L. | Deposit date: | 2015-07-09 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors. Acta Crystallogr.,Sect.F, 71, 2015
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1DFH
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![BU of 1dfh by Molmil](/molmil-images/mine/1dfh) | X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD AND THIENO-DIAZABORINE | Descriptor: | 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 | Authors: | Baldock, C, Rafferty, J.B, Rice, D.W. | Deposit date: | 1997-01-16 | Release date: | 1998-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A mechanism of drug action revealed by structural studies of enoyl reductase. Science, 274, 1996
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1D8A
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![BU of 1d8a by Molmil](/molmil-images/mine/1d8a) | E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Levy, C.W, Roujeinikova, A, Sedelnikova, S, Baker, P.J, Stuitje, A.R, Slabas, A.R, Rice, D.W, Rafferty, J.B. | Deposit date: | 1999-10-21 | Release date: | 1999-10-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of triclosan activity. Nature, 398, 1999
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1MFP
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![BU of 1mfp by Molmil](/molmil-images/mine/1mfp) | E. coli Enoyl Reductase in complex with NAD and SB611113 | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2002-08-13 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK J.MED.CHEM., 46, 2003
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1I30
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![BU of 1i30 by Molmil](/molmil-images/mine/1i30) | E. Coli Enoyl Reductase +NAD+SB385826 | Descriptor: | 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 | Authors: | Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | Deposit date: | 2001-02-12 | Release date: | 2002-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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1LXC
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![BU of 1lxc by Molmil](/molmil-images/mine/1lxc) | Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Acrylamide Inhibitor | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2002-06-05 | Release date: | 2002-09-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI). J.Med.Chem., 45, 2002
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1LX6
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1DFG
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![BU of 1dfg by Molmil](/molmil-images/mine/1dfg) | X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD AND BENZO-DIAZABORINE | Descriptor: | 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ENOYL ACYL CARRIER PROTEIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Baldock, C, Rafferty, J.B, Rice, D.W. | Deposit date: | 1997-01-16 | Release date: | 1998-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A mechanism of drug action revealed by structural studies of enoyl reductase. Science, 274, 1996
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3PJE
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![BU of 3pje by Molmil](/molmil-images/mine/3pje) | |
3PJD
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2FHS
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![BU of 2fhs by Molmil](/molmil-images/mine/2fhs) | Structure of Acyl Carrier Protein Bound to FabI, the Enoyl Reductase from Escherichia Coli | Descriptor: | Acyl carrier protein, enoyl-[acyl-carrier-protein] reductase, NADH-dependent | Authors: | Kolappan, S, Novichenok, P, Rafi, S, Simmerling, C, Tonge, P.J, Kisker, C. | Deposit date: | 2005-12-27 | Release date: | 2006-10-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Acyl Carrier Protein Bound to FabI, the FASII Enoyl Reductase from Escherichia coli. J.Biol.Chem., 281, 2006
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1I2Z
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![BU of 1i2z by Molmil](/molmil-images/mine/1i2z) | E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654 | Descriptor: | 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | Deposit date: | 2001-02-12 | Release date: | 2002-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein
reductase (FabI). Bioorg.Med.Chem.Lett., 11, 2001
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4JQC
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![BU of 4jqc by Molmil](/molmil-images/mine/4jqc) | Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AFN-1252 | Descriptor: | 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 | Authors: | Subramanya, H, Rao, K.N, Anirudha, L. | Deposit date: | 2013-03-20 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AFN-1252 TO BE PUBLISHED
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4JX8
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