5ETN
| E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.40 angstrom resolution | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | Deposit date: | 2015-11-17 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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3HT0
| Crystal structure of E. coli HPPK(F123A) in complex with MgAMPCPP | Descriptor: | CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HPPK, ... | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-06-11 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK To be Published
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1TMJ
| Crystal structure of E.coli apo-HPPK(W89A) at 1.45 Angstrom resolution | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, MAGNESIUM ION | Authors: | Blaszczyk, J, Ji, X. | Deposit date: | 2004-06-10 | Release date: | 2005-06-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 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
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3ILI
| Crystal structure of E. coli HPPK(D95A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ... | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-08-07 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published
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5ETM
| E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.46 angstrom resolution | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, CALCIUM ION, ... | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | Deposit date: | 2015-11-17 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | 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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6AN4
| 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
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1RU2
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7KDR
| 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
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1F9H
| CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF E. COLI HPPK(R92A) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.50 ANGSTROM RESOLUTION | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION, ... | Authors: | Blaszczyk, J, Ji, X. | Deposit date: | 2000-07-10 | Release date: | 2003-04-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli
6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic
Studies Biochemistry, 42, 2003
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1HKA
| 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
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1EQM
| CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE | Descriptor: | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Xiao, B, Blaszczyk, J, Ji, X. | Deposit date: | 2000-04-05 | Release date: | 2001-04-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR. J.Biol.Chem., 276, 2001
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3KUE
| 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
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1KBR
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5ETT
| S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.55 angstrom resolution | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | Deposit date: | 2015-11-18 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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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1RAO
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7KDO
| 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
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1G4C
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3ILJ
| Crystal structure of E. coli HPPK(D95A) in complex with MgAMPCPP | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION, ... | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-08-07 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published
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3QBC
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3HSD
| Crystal structure of E. coli HPPK(Y53A) | Descriptor: | CHLORIDE ION, GLYCEROL, HPPK, ... | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-06-10 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK. To be Published
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4M5J
| 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-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, CHLORIDE 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 (1.696 Å) | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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4PZV
| Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 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.X, Shi, G, Ji, X. | Deposit date: | 2014-03-31 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis. Febs J., 281, 2014
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5ETV
| S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.72 angstrom resolution | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | Deposit date: | 2015-11-18 | Release date: | 2016-05-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | 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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4F7V
| 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
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3ILL
| Crystal structure of E. coli HPPK(D97A) | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-08-07 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published
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