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4IQL
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BU of 4iql by Molmil
Crystal Structure of Porphyromonas gingivalis Enoyl-ACP Reductase II (FabK) with cofactors NADPH and FMN
Descriptor: Enoyl-(Acyl-carrier-protein) reductase II, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Hevener, K.E, Santarsiero, B.D, Su, P.-C, Boci, T, Truong, K, Johnson, M.E, Mehboob, S.
Deposit date:2013-01-11
Release date:2014-01-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Structural characterization of Porphyromonas gingivalis enoyl-ACP reductase II (FabK).
Acta Crystallogr F Struct Biol Commun, 74, 2018
7L00
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BU of 7l00 by Molmil
Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
Descriptor: Enoyl-Acyl Carrier Protein Reductase FabK, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Akhtar, A, Santarsiero, B.D, Hevener, K.E.
Deposit date:2020-12-10
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
To be published
6OZW
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BU of 6ozw by Molmil
Crystal structure of the 65-kilodalton amino-terminal fragment of DNA topoisomerase I from Streptococcus mutans
Descriptor: DNA topoisomerase 1, FORMIC ACID, MAGNESIUM ION
Authors:Jones, J.A, Hevener, K.E.
Deposit date:2019-05-16
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.063 Å)
Cite:Crystal structure of the 65-kilodalton amino-terminal fragment of DNA topoisomerase I from the gram-positive model organism Streptococcus mutans.
Biochem.Biophys.Res.Commun., 516, 2019
3H23
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BU of 3h23 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2E
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BU of 3h2e by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H21
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BU of 3h21 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: (2R)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2C
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BU of 3h2c by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 1H-imidazo[4,5-d]pyridazine-4,7-diamine, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2N
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BU of 3h2n by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2A
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BU of 3h2a by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 2,6-diamino-5-nitropyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H24
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BU of 3h24 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2M
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BU of 3h2m by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H26
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BU of 3h26 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2F
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BU of 3h2f by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H22
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BU of 3h22 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 2,6-diamino-5-nitrosopyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2O
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BU of 3h2o by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3UIC
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BU of 3uic by Molmil
Crystal Structure of FabI, an Enoyl Reductase from F. tularensis, in complex with a Novel and Potent Inhibitor
Descriptor: 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mehboob, S, Santarsiero, B.D, Truong, K, Johnson, M.E.
Deposit date:2011-11-04
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and enzymatic analyses reveal the binding mode of a novel series of Francisella tularensis enoyl reductase (FabI) inhibitors.
J.Med.Chem., 55, 2012
4J3F
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BU of 4j3f by Molmil
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold.
Descriptor: 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2013-02-05
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
4J1N
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BU of 4j1n by Molmil
Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Descriptor: 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
Authors:Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2013-02-01
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
4J4T
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BU of 4j4t by Molmil
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Descriptor: 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2013-02-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015

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