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PDB: 86 件
2QX0
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Crystal Structure of Yersinia pestis HPPK (Ternary Complex)
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Blaszczyk, J, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2007-08-10
公開日2007-10-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and activity of Yersinia pestis 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as a novel target for the development of antiplague therapeutics.
Acta Crystallogr.,Sect.D, 63, 2007
4F7V
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Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1D (HP26)
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
著者Shaw, G, Shi, G, Ji, X.
登録日2012-05-16
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New lead exhibits a distinct binding mode.
Bioorg.Med.Chem., 20, 2012
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
3QBC
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BU of 3qbc by Molmil
Structure and design of a new pterin site inhibitor of S. aureus HPPK
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one
著者Peat, T.S, Chhabra, S, Swarbrick, J.D.
登録日2011-01-12
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of S. aureus HPPK and the discovery of a new substrate site inhibitor
Plos One, 7, 2012
1IM6
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CRYSTAL STRUCTURE OF UNLIGATED HPPK(R82A) FROM E.COLI AT 1.74 ANGSTROM RESOLUTION
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION
著者Blaszczyk, J, Ji, X.
登録日2001-05-09
公開日2003-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.74 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
3UDE
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BU of 3ude by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION
著者Shaw, G, Shi, G, Ji, X.
登録日2011-10-28
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
6AN6
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Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine
著者Shaw, G.X, Shi, G, Ji, X.
登録日2017-08-12
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
3UD5
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Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A
分子名称: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
著者Shaw, G, Shi, G, Ji, X.
登録日2011-10-27
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
1Q0N
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BU of 1q0n by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE FROM E. COLI 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, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2003-07-16
公開日2003-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Catalytic Center Assembly of Hppk as Revealed by the Crystal Structure of a Ternary Complex at 1.25 A Resolution
Structure, 8, 2000
1KBR
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CRYSTAL STRUCTURE OF UNLIGATED HPPK(R92A) FROM E.COLI AT 1.55 ANGSTROM RESOLUTION
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION
著者Blaszczyk, J, Ji, X.
登録日2001-11-06
公開日2003-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 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
3UDV
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BU of 3udv by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION
著者Shaw, G, Shi, G, Ji, X.
登録日2011-10-28
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
6AN4
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BU of 6an4 by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F)
分子名称: ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION
著者Shaw, G.X, Shi, G, Ji, X.
登録日2017-08-12
公開日2018-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bisubstrate analog inhibitors of HPPK: Transition state mimetics
to be published
7KDO
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BU of 7kdo by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
著者Shaw, G.X, Shi, G, Ji, X.
登録日2020-10-09
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
7KDR
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BU of 7kdr by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75
分子名称: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ...
著者Shaw, G.X, Shi, G, Ji, X.
登録日2020-10-09
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.488 Å)
主引用文献Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
4AD6
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BU of 4ad6 by Molmil
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
1RAO
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BU of 1rao by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK WITH AMP AND 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE AT 1.56 ANGSTROM RESOLUTION
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE, ADENOSINE MONOPHOSPHATE
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 (1.56 Å)
主引用文献Reaction trajectory of pyrophosphoryl transfer catalyzed by 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Structure, 12, 2004
3KUG
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BU of 3kug by Molmil
Crystal structure of E. coli HPPK(H115A)
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
著者Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日2009-11-27
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Roles of residues E77 and H115 in E. coli HPPK
To be Published
3KUE
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BU of 3kue by Molmil
Crystal structure of E. coli HPPK(E77A)
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION
著者Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日2009-11-27
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献Roles of residues E77 and H115 in E. coli HPPK
To be Published
3KUH
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BU of 3kuh by Molmil
Crystal structure of E. coli HPPK(H115A) in complex with AMPCPP and HP
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ...
著者Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日2009-11-27
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Roles of residues E77 and H115 in E. coli HPPK
To be Published
1G4C
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BU of 1g4c by Molmil
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
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
2F65
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BU of 2f65 by Molmil
Solution structure of HPPK in complex with inhibitor analog AMPCPP
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 analog AMPCPP
to be published
2F63
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BU of 2f63 by Molmil
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
1CBK
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7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE
分子名称: 7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN, PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE), SULFATE ION
著者Hennig, M, D'Arcy, A, Dale, G, Oefner, C.
登録日1999-02-26
公開日2000-03-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The structure and function of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Haemophilus influenzae.
J.Mol.Biol., 287, 1999

 

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