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6B9I
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BU of 6b9i by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 14-Methylhexadecanoic Acid (Anteiso C17:0) to 1.93 Angstrom resolution
分子名称: (14S)-14-methylhexadecanoic acid, Fatty acid Kinase (Fak) B1, GLYCEROL, ...
著者Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O.
登録日2017-10-10
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
6CNG
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The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
分子名称: ACETATE ION, Fatty Acid Kinase (Fak) B3 protein, GLYCEROL, ...
著者Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O.
登録日2018-03-08
公開日2019-07-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
To Be Published
5KYM
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Crystal Structure of the 1-acyl-sn-glycerophosphate (LPA) acyltransferase, PlsC, from Thermotoga maritima
分子名称: 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, 1-acyl-sn-glycerol-3-phosphate acyltransferase, DODECYL-BETA-D-MALTOSIDE, ...
著者Robertson, R.M, Yao, J, Gajewski, S, Kumar, G, Martin, E.W, Rock, C.O, White, S.W.
登録日2016-07-21
公開日2017-07-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A two-helix motif positions the lysophosphatidic acid acyltransferase active site for catalysis within the membrane bilayer.
Nat. Struct. Mol. Biol., 24, 2017
7RM7
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BU of 7rm7 by Molmil
The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.025 Angstrom resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, Fatty Acid Kinase A, GLYCEROL, ...
著者Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W.
登録日2021-07-26
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.025 Å)
主引用文献The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.025 Angstrom resolution
To Be Published
7RZK
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Co-soak crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.9 Angstrom resolution - SAD data
分子名称: ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, Fatty Acid Kinase A, ...
著者Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W.
登録日2021-08-27
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Co-soak crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.9 Angstrom resolution - SAD data
To Be Published
4Q9N
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BU of 4q9n by Molmil
Crystal structure of Chlamydia trachomatis enoyl-ACP reductase (FabI) in complex with NADH and AFN-1252
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
著者Yao, J, Abdelrahman, Y, Robertson, R.M, Cox, J.V, Belland, R.J, White, S.W, Rock, C.O.
登録日2014-05-01
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis.
J.Biol.Chem., 289, 2014
7U7H
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BU of 7u7h by Molmil
Cysteate acyl-ACP transferase from Alistipes finegoldii
分子名称: 7-keto-8-aminopelargonate synthetase-like enzyme, PYRIDOXAL-5'-PHOSPHATE
著者Radka, C.D, Miller, D.J, Frank, M.W, Rock, C.O.
登録日2022-03-07
公開日2023-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Biochemical characterization of the first step in sulfonolipid biosynthesis in Alistipes finegoldii.
J.Biol.Chem., 298, 2022
7UQ1
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BU of 7uq1 by Molmil
The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with AMP and a single Mg ion at the dinuclear binding site
分子名称: ADENOSINE MONOPHOSPHATE, Fatty Acid Kinase A, GLYCEROL, ...
著者Cuypers, M.G, Subramanian, C, Seetharaman, J, Rock, C.O, White, S.W.
登録日2022-04-18
公開日2022-05-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Domain architecture and catalysis of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 298, 2022
4M5J
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BU of 4m5j by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, CHLORIDE ION, ...
著者Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
登録日2013-08-08
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5H
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BU of 4m5h by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile, CALCIUM ION, ...
著者Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
登録日2013-08-08
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5K
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BU of 4m5k by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
著者Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
登録日2013-08-08
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.296 Å)
主引用文献The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5L
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BU of 4m5l by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one, CALCIUM ION, ...
著者Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
登録日2013-08-08
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.094 Å)
主引用文献The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5M
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BU of 4m5m by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CALCIUM ION, ...
著者Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
登録日2013-08-08
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.118 Å)
主引用文献The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5G
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BU of 4m5g by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
著者Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
登録日2013-08-08
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5N
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BU of 4m5n by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-amino-1,9-dihydro-2H-purine-2-thione, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
登録日2013-08-08
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5I
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BU of 4m5i by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one, CALCIUM ION, ...
著者Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
登録日2013-08-08
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
2P2D
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Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I
分子名称: GLYCEROL, L-ASPARAGINASE I
著者Yun, M.-K, Nourse, A, White, S.W, Rock, C.O, Heath, R.J.
登録日2007-03-07
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia colil-Asparaginase I
J.Mol.Biol., 369, 2007
2P2N
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Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, ASPARTIC ACID, ...
著者Yun, M.-K, Nourse, A, White, S.W, Rock, C.O, Heath, R.J.
登録日2007-03-07
公開日2007-05-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia colil-Asparaginase I
J.Mol.Biol., 369, 2007
2QVL
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BU of 2qvl by Molmil
Crystal Structure of Diacylglycerol Kinase
分子名称: Diacylglycerol Kinase DgkB
著者Miller, D.J, Jerga, A, Rock, C.O, White, S.W.
登録日2007-08-08
公開日2008-06-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Analysis of the Staphylococcus aureus DgkB Structure Reveals a Common Catalytic Mechanism for the Soluble Diacylglycerol Kinases.
Structure, 16, 2008
2QV7
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Crystal Structure of Diacylglycerol Kinase DgkB in complex with ADP and Mg
分子名称: ADENOSINE-5'-DIPHOSPHATE, Diacylglycerol Kinase DgkB, MAGNESIUM ION
著者Miller, D.J, Jerga, A, Rock, C.O, White, S.W.
登録日2007-08-07
公開日2008-06-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Analysis of the Staphylococcus aureus DgkB Structure Reveals a Common Catalytic Mechanism for the Soluble Diacylglycerol Kinases.
Structure, 16, 2008
6NOK
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The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
分子名称: Fatty Acid Kinase (Fak) B1 protein, MYRISTIC ACID, SODIUM ION
著者Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O.
登録日2019-01-16
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
To Be Published
6NM1
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BU of 6nm1 by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein A158L mutant to 2.33 Angstrom resolution exhibits a conformation change compared to the wild type form
分子名称: Fatty acid Kinase (Fak) B1 protein, MYRISTIC ACID
著者Cuypers, M.G, Gullett, J.M, Subramanian, C, Ericson, M, White, S.W, Rock, C.O.
登録日2019-01-10
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
6NYU
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The X-ray crystal structure of Staphylococcus aureus Fatty Acid Kinase (Fak) B1 F263T mutant protein to 2.18 Angstrom resolution
分子名称: DegV domain-containing protein, GLYCEROL, MYRISTIC ACID, ...
著者Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O.
登録日2019-02-12
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.183 Å)
主引用文献The X-ray crystal structure of STAPHYLOCOCCUS AUREUS Fatty Acid Kinase (Fak) B1 protein F263T mutant to 2.18 Angstrom resolution
To Be Published
6NR1
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The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
分子名称: Fatty Acid Kinase (Fak) B2 protein (SPR1019), GLYCEROL, VACCENIC ACID
著者Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O.
登録日2019-01-22
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
To Be Published
8VD9
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Crystal structure of Bacillus subtilis FabHA, beta-ketoacyl carrier protein synthase III
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-ketoacyl-[acyl-carrier-protein] synthase III 1
著者Radka, C.D, Rock, C.O.
登録日2023-12-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of the fatty acid biosynthesis initiation enzymes in Bacillus subtilis.
J.Struct.Biol., 216, 2024

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