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4AD6
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Synthesis and SAR of guanine based analogues for HPPK inhibitors
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE
著者Chhabra, S, Peat, T.S, Swarbrick, J.
登録日2011-12-22
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploring the Chemical Space Around 8-Mercaptoguanine as a Route to New Inhibitors of the Folate Biosynthesis Enzyme Hppk.
Plos One, 8, 2013
2F63
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Solution structure of HPPK in complex with inhibitor analogs AMPCPP and HP-1
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
著者Yan, H, Li, G.
登録日2005-11-28
公開日2006-01-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of HPPK in complex with inhibitor analogs AMPCPP and HP-1
To be Published
1EX8
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BU of 1ex8 by Molmil
CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH HP4A, THE TWO-SUBSTRATE-MIMICKING INHIBITOR
分子名称: 6-(ADENOSINE TETRAPHOSPHATE-METHYL)-7,8-DIHYDROPTERIN, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2000-05-01
公開日2001-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: synthesis and biochemical and crystallographic studies.
J.Med.Chem., 44, 2001
1F9H
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BU of 1f9h by Molmil
CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF E. COLI HPPK(R92A) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.50 ANGSTROM RESOLUTION
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2000-07-10
公開日2003-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
1TMJ
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BU of 1tmj by Molmil
Crystal structure of E.coli apo-HPPK(W89A) at 1.45 Angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, MAGNESIUM ION
著者Blaszczyk, J, Ji, X.
登録日2004-06-10
公開日2005-06-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies.
Biochemistry, 44, 2005
1G4C
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CRYSTAL STRUCTURE OF A COMPLEX OF HPPK(R92A) FROM E.COLI WITH MG2+ AT 1.65 ANGSTROM RESOLUTION
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION, MAGNESIUM ION
著者Blaszczyk, J, Ji, X.
登録日2000-10-26
公開日2003-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
1RB0
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CRYSTAL STRUCTURE OF A BINARY COMPLEX OF E. COLI HPPK WITH 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE AT 1.35 ANGSTROM RESOLUTION
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE
著者Blaszczyk, J, Ji, X.
登録日2003-10-31
公開日2004-11-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Reaction trajectory of pyrophosphoryl transfer catalyzed by 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Structure, 12, 2004
1RU2
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BU of 1ru2 by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E.COLI HPPK(V83G/DEL84-89) WITH MGAMPCPP AND 6-HYDROXYMETHYLPTERIN AT 1.48 ANGSTROM RESOLUTION (ORTHORHOMBIC FORM)
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN, CHLORIDE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2003-12-10
公開日2004-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004
1TMM
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BU of 1tmm by Molmil
Crystal structure of ternary complex of E.coli HPPK(W89A) with MGAMPCPP and 6-Hydroxymethylpterin
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN, ACETATE ION, ...
著者Blaszczyk, J, Li, Y, Wu, Y, Shi, G, Ji, X, Yan, H.
登録日2004-06-10
公開日2005-06-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies.
Biochemistry, 44, 2005
1RU1
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CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK(V83G/DEL84-89) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.40 ANGSTROM RESOLUTION (MONOCLINIC FORM)
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2003-12-10
公開日2004-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004
1HKA
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BU of 1hka by Molmil
6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
著者Xiao, B, Shi, G, Chen, X, Yan, H, Ji, X.
登録日1998-09-29
公開日1999-06-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, a potential target for the development of novel antimicrobial agents.
Structure Fold.Des., 7, 1999
1HQ2
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BU of 1hq2 by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E.COLI HPPK(R82A) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.25 ANGSTROM RESOLUTION
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ACETATE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2000-12-13
公開日2003-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
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
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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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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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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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
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
5ETM
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E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.46 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, CALCIUM ION, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETN
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BU of 5etn by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.40 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETK
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E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.09 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, CALCIUM ION, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETO
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E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.07 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, CALCIUM ION, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETL
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E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.82 angstrom resolution
分子名称: 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016

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