3UDE
 
 | | 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
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3UD5
 | | 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
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3UDV
 | | 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
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4F7V
 | | 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
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2NUF
 | | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 2.5-Angstrom Resolution | | 分子名称: | 28-MER, MAGNESIUM ION, Ribonuclease III | | 著者 | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | | 登録日 | 2006-11-09 | | 公開日 | 2007-11-20 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A stepwise model for double-stranded RNA processing by ribonuclease III.
Mol.Microbiol., 67, 2007
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2NUG
 | | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 1.7-Angstrom Resolution | | 分子名称: | 5'-R(P*AP*AP*GP*GP*UP*CP*AP*UP*UP*CP*G)-3', 5'-R(P*AP*GP*UP*GP*GP*CP*CP*UP*UP*GP*C)-3', MAGNESIUM ION, ... | | 著者 | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | | 登録日 | 2006-11-09 | | 公開日 | 2007-11-20 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A stepwise model for double-stranded RNA processing by ribonuclease III.
Mol.Microbiol., 67, 2007
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2NUE
 | | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 2.9-Angstrom Resolution | | 分子名称: | 46-MER, Ribonuclease III | | 著者 | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | | 登録日 | 2006-11-09 | | 公開日 | 2007-11-20 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A stepwise model for double-stranded RNA processing by ribonuclease III.
Mol.Microbiol., 67, 2007
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2PCX
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2Q0S
 | | Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase | | 分子名称: | Aryl esterase, SULFATE ION | | 著者 | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | | 登録日 | 2007-05-22 | | 公開日 | 2007-12-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
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2Q0Q
 | | Structure of the Native M. Smegmatis Aryl Esterase | | 分子名称: | GLYCEROL, SULFATE ION, aryl esterase | | 著者 | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | | 登録日 | 2007-05-22 | | 公開日 | 2007-12-11 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
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1Q5P
 | | S156E/S166D variant of Bacillus lentus subtilisin | | 分子名称: | CALCIUM ION, SULFATE ION, Serine protease | | 著者 | Bott, R.R, Chan, G, Domingo, B, Ganshaw, G, Hsia, C.Y, Knapp, M, Murray, C.J. | | 登録日 | 2003-08-08 | | 公開日 | 2003-11-11 | | 最終更新日 | 2018-04-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Do enzymes change the nature of transition states? Mapping the transition state for general acid-base catalysis of a serine protease
Biochemistry, 42, 2003
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3QGV
 | | Crystal structure of a thermostable amylase variant | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha amylase, CALCIUM ION, ... | | 著者 | Hein, K.L, Ganshaw, G, Bott, R, Nissen, P. | | 登録日 | 2011-01-25 | | 公開日 | 2012-02-01 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of a highly mutated, thermostable xCExB1-amylase variant
To be Published
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6BOG
 | | Crystal structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription | | 分子名称: | RNA polymerase-associated protein RapA, SULFATE ION | | 著者 | Shaw, G.X, Gan, J, Zhou, Y.N, Zhang, R, Joachimiak, A, Jin, D.J, Ji, X. | | 登録日 | 2017-11-20 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.205 Å) | | 主引用文献 | Structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription.
Structure, 16, 2008
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1VVC
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6AN4
 | | 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
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6AN6
 | | 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
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4PZV
 | | Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | | 分子名称: | 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 | | 著者 | Shaw, G.X, Shi, G, Ji, X. | | 登録日 | 2014-03-31 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.704 Å) | | 主引用文献 | 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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7KDO
 | | 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
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7KDR
 | | 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
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1VVD
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1VVE
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2QX0
 | | 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
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1BAK
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1C9N
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1C9J
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