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4AD6
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BU of 4ad6 by Molmil
Synthesis and SAR of guanine based analogues for HPPK inhibitors
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE
Authors:Chhabra, S, Peat, T.S, Swarbrick, J.
Deposit date:2011-12-22
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Exploring the Chemical Space Around 8-Mercaptoguanine as a Route to New Inhibitors of the Folate Biosynthesis Enzyme Hppk.
Plos One, 8, 2013
1CBK
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BU of 1cbk by Molmil
7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE
Descriptor: 7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN, PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE), SULFATE ION
Authors:Hennig, M, D'Arcy, A, Dale, G, Oefner, C.
Deposit date:1999-02-26
Release date:2000-03-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The structure and function of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Haemophilus influenzae.
J.Mol.Biol., 287, 1999
4F7V
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BU of 4f7v by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1D (HP26)
Descriptor: 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
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2012-05-16
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New lead exhibits a distinct binding mode.
Bioorg.Med.Chem., 20, 2012
2QX0
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BU of 2qx0 by Molmil
Crystal Structure of Yersinia pestis HPPK (Ternary Complex)
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Blaszczyk, J, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
Deposit date:2007-08-10
Release date:2007-10-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
3QBC
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BU of 3qbc by Molmil
Structure and design of a new pterin site inhibitor of S. aureus HPPK
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one
Authors:Peat, T.S, Chhabra, S, Swarbrick, J.D.
Deposit date:2011-01-12
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of S. aureus HPPK and the discovery of a new substrate site inhibitor
Plos One, 7, 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
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ...
Authors:Blaszczyk, J, Ji, X.
Deposit date:2003-07-16
Release date:2003-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Catalytic Center Assembly of Hppk as Revealed by the Crystal Structure of a Ternary Complex at 1.25 A Resolution
Structure, 8, 2000
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
Descriptor: 2-amino-1,9-dihydro-6H-purine-6-thione, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CALCIUM ION, ...
Authors:Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.118 Å)
Cite: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
Descriptor: 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, ...
Authors:Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
7KDO
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BU of 7kdo by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73
Descriptor: 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
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2020-10-09
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 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, ...
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2020-10-09
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.488 Å)
Cite:Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
3KUE
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BU of 3kue by Molmil
Crystal structure of E. coli HPPK(E77A)
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-11-27
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Roles of residues E77 and H115 in E. coli HPPK
To be Published
3KUG
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BU of 3kug by Molmil
Crystal structure of E. coli HPPK(H115A)
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-11-27
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.996 Å)
Cite: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
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ...
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-11-27
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Roles of residues E77 and H115 in E. coli HPPK
To be Published
8SK1
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BU of 8sk1 by Molmil
Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase, 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
Authors:Shaw, G.X, Tropea, J.E, Shi, G, Waugh, D.S, Ji, X.
Deposit date:2023-04-18
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73
To be published
8SIF
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BU of 8sif by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-101
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2023-04-16
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The first bisubstrate inhibitor of HPPK exhibiting cell permeability
To be published
3UD5
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BU of 3ud5 by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A
Descriptor: 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
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2011-10-27
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
3UDV
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BU of 3udv by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C
Descriptor: 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
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2011-10-28
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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)
Descriptor: ((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
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2017-08-12
Release date:2018-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bisubstrate analog inhibitors of HPPK: Transition state mimetics
to be published
6AN6
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BU of 6an6 by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72
Descriptor: 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
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2017-08-12
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
3UDE
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BU of 3ude by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B
Descriptor: 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
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2011-10-28
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
1IM6
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BU of 1im6 by Molmil
CRYSTAL STRUCTURE OF UNLIGATED HPPK(R82A) FROM E.COLI AT 1.74 ANGSTROM RESOLUTION
Descriptor: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION
Authors:Blaszczyk, J, Ji, X.
Deposit date:2001-05-09
Release date:2003-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
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
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ACETATE ION, ...
Authors:Blaszczyk, J, Ji, X.
Deposit date:2000-12-13
Release date:2003-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Authors:Xiao, B, Shi, G, Chen, X, Yan, H, Ji, X.
Deposit date:1998-09-29
Release date:1999-06-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, a potential target for the development of novel antimicrobial agents.
Structure Fold.Des., 7, 1999
1KBR
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BU of 1kbr by Molmil
CRYSTAL STRUCTURE OF UNLIGATED HPPK(R92A) FROM E.COLI AT 1.55 ANGSTROM RESOLUTION
Descriptor: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION
Authors:Blaszczyk, J, Ji, X.
Deposit date:2001-11-06
Release date:2003-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Authors:Yan, H, Li, G.
Deposit date:2005-11-28
Release date:2006-01-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of HPPK in complex with inhibitor analog AMPCPP
to be published

 

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