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4F7V
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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:2012-07-25
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
1EQ0
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SOLUTION STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH MGAMPPCP
Descriptor:6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Authors:Shi, G., Yan, H.
Deposit date:2000-03-30
Release date:2001-11-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR.
J.Biol.Chem., 276, 2001
3UD5
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CRYSTAL STRUCTURE OF E. COLI HPPK IN COMPLEX WITH BISUBSTRATE ANALOGUE INHIBITOR J1A
Descriptor: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, 1,2-ETHANEDIOL
Authors:Shaw, G., Shi, G., Ji, X.
Deposit date:2011-10-27
Release date:2012-01-04
Last modified:2012-01-18
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
3UDE
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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:2012-01-18
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
3UDV
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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:2012-01-18
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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CRYSTAL STRUCTURE OF ESCHERICHIA COLI HPPK IN COMPLEX WITH BISUBSTRATE ANALOGUE INHIBITOR HP-39 (J1F)
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ((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, CHLORIDE ION
Authors:Shaw, G.X., Shi, G., Ji, X.
Deposit date:2017-08-12
Release date:2018-08-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bisubstrate analog inhibitors of HPPK: Transition state mimetics
to be published
6AN6
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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
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
4PZV
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CRYSTAL STRUCTURE OF FRANCISELLA TULARENSIS HPPK-DHPS IN COMPLEX WITH BISUBSTRATE ANALOG HPPK INHIBITOR J1D
Descriptor: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, 1,2-ETHANEDIOL
Authors:Shaw, G.X., Shi, G., Ji, X.
Deposit date:2014-03-31
Release date:2014-07-16
Last modified:2014-10-01
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
1TMM
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CRYSTAL STRUCTURE OF TERNARY COMPLEX OF E.COLI HPPK(W89A) WITH MGAMPCPP AND 6-HYDROXYMETHYLPTERIN
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Blaszczyk, J., Li, Y., Wu, Y., Shi, G., Ji, X., Yan, H.
Deposit date:2004-06-10
Release date:2005-06-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 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
1HKA
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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:2017-09-13
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
1U7F
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CRYSTAL STRUCTURE OF THE PHOSPHORYLATED SMAD3/SMAD4 HETEROTRIMERIC COMPLEX
Descriptor:Mothers against decapentaplegic homolog 3, Mothers against decapentaplegic homolog 4
Authors:Chacko, B.M., Qin, B.Y., Tiwari, A., Shi, G., Lam, S., Hayward, L.J., de Caestecker, M., Lin, K.
Deposit date:2004-08-03
Release date:2004-09-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of heteromeric smad protein assembly in tgf-Beta signaling
Mol.Cell, 15, 2004
1U7V
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CRYSTAL STRUCTURE OF THE PHOSPHORYLATED SMAD2/SMAD4 HETEROTRIMERIC COMPLEX
Descriptor:Mothers against decapentaplegic homolog 2, Mothers against decapentaplegic homolog 4
Authors:Chacko, B.M., Qin, B.Y., Tiwari, A., Shi, G., Lam, S., Hayward, L.J., de Caestecker, M., Lin, K.
Deposit date:2004-08-04
Release date:2004-09-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of heteromeric smad protein assembly in tgf-Beta signaling
Mol.Cell, 15, 2004
1EX8
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CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH HP4A, THE TWO-SUBSTRATE-MIMICKING INHIBITOR
Descriptor:6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Blaszczyk, J., Ji, X.
Deposit date:2000-05-01
Release date:2001-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: synthesis and biochemical and crystallographic studies.
J.Med.Chem., 44, 2001
1KBR
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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:2011-07-13
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
1IM6
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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:2011-07-13
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
1RTZ
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CRYSTAL STRUCTURE OF E.COLI APO-HPPK(V83G/DEL84-89) AT 1.33 ANGSTROM RESOLUTION
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Blaszczyk, J., Ji, X.
Deposit date:2003-12-10
Release date:2004-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004
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)
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Blaszczyk, J., Ji, X.
Deposit date:2003-12-10
Release date:2004-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004
1RU2
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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)
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Blaszczyk, J., Ji, X.
Deposit date:2003-12-10
Release date:2004-02-24
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004
1TMJ
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CRYSTAL STRUCTURE OF E.COLI APO-HPPK(W89A) AT 1.45 ANGSTROM RESOLUTION
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, MAGNESIUM ION, CHLORIDE ION
Authors:Blaszczyk, J., Ji, X.
Deposit date:2004-06-10
Release date:2005-06-21
Last modified:2011-07-13
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
1G4C
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CRYSTAL STRUCTURE OF A COMPLEX OF HPPK(R92A) FROM E.COLI WITH MG2+ AT 1.65 ANGSTROM RESOLUTION
Descriptor:6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, MAGNESIUM ION, CHLORIDE ION
Authors:Blaszczyk, J., Ji, X.
Deposit date:2000-10-26
Release date:2003-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 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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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:6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Blaszczyk, J., Ji, X.
Deposit date:2000-12-13
Release date:2003-04-15
Last modified:2011-07-13
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
1RAO
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CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK WITH AMP AND 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE AT 1.56 ANGSTROM RESOLUTION
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ADENOSINE MONOPHOSPHATE, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE
Authors:Blaszczyk, J., Ji, X.
Deposit date:2003-10-31
Release date:2004-11-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Reaction trajectory of pyrophosphoryl transfer catalyzed by 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Structure, 12, 2004
1RB0
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CRYSTAL STRUCTURE OF A BINARY COMPLEX OF E. COLI HPPK WITH 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE AT 1.35 ANGSTROM RESOLUTION
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE
Authors:Blaszczyk, J., Ji, X.
Deposit date:2003-10-31
Release date:2004-11-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Reaction trajectory of pyrophosphoryl transfer catalyzed by 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Structure, 12, 2004
1EQM
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CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE
Descriptor:6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Xiao, B., Blaszczyk, J., Ji, X.
Deposit date:2000-04-05
Release date:2001-04-05
Last modified:2011-07-13
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
1F9H
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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:6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Blaszczyk, J., Ji, X.
Deposit date:2000-07-10
Release date:2003-04-15
Last modified:2011-07-13
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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