1QL6
 
 | | THE CATALYTIC MECHANISM OF PHOSPHORYLASE KINASE PROBED BY MUTATIONAL STUDIES | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PHOSPHORYLASE KINASE, ... | | 著者 | Skamnaki, V.T, Owen, D.J, Noble, M.E.M, Lowe, E.D, Oikonomakos, N.G, Johnson, L.N. | | 登録日 | 1999-08-24 | | 公開日 | 1999-12-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Catalytic Mechanism of Phosphorylase Kinase Probed by Mutational Studies.
Biochemistry, 38, 1999
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4G9M
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4G9N
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3SYR
 | | Glycogen phosphorylase b in complex with beta-D-glucopyranonucleoside 5-fluorouracil | | 分子名称: | 5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | 著者 | Skamnaki, V.T, Kantsadi, A.L, Kontou, M, Leonidas, D.D. | | 登録日 | 2011-07-18 | | 公開日 | 2012-02-15 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why.
Chem.Biol.Drug Des., 79, 2012
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3SYM
 | | Glycogen Phosphorylase b in complex with 3 -C-(hydroxymethyl)-beta-D-glucopyranonucleoside of 5-fluorouracil | | 分子名称: | 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | 著者 | Skamnaki, V.T, Katsandi, A.L, Kontou, M, Leonidas, D.D. | | 登録日 | 2011-07-18 | | 公開日 | 2012-02-15 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why.
Chem.Biol.Drug Des., 79, 2012
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3AMV
 | | ALLOSTERIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG | | 分子名称: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | | 著者 | Oikonomakos, N.G, Tsitsanou, K.E, Zographos, S.E, Skamnaki, V.T. | | 登録日 | 1999-02-18 | | 公開日 | 1999-02-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Allosteric inhibition of glycogen phosphorylase a by the potential antidiabetic drug 3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1-ethyl-2-methyl-pyridine-3,5,6-tricarbo xylate.
Protein Sci., 8, 1999
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2GPA
 | | ALLOSTERIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG | | 分子名称: | GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Oikonomakos, N.G, Tsitsanou, K.E, Zographos, S.E, Skamnaki, V.T. | | 登録日 | 1999-02-18 | | 公開日 | 1999-02-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Allosteric inhibition of glycogen phosphorylase a by the potential antidiabetic drug 3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1-ethyl-2-methyl-pyridine-3,5,6-tricarbo xylate.
Protein Sci., 8, 1999
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2PHK
 | | THE CRYSTAL STRUCTURE OF A PHOSPHORYLASE KINASE PEPTIDE SUBSTRATE COMPLEX: KINASE SUBSTRATE RECOGNITION | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Lowe, E.D, Noble, M.E.M, Skamnaki, V.T, Oikonomakos, N.G, Owen, D.J, Johnson, L.N. | | 登録日 | 1998-06-18 | | 公開日 | 1999-01-13 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The crystal structure of a phosphorylase kinase peptide substrate complex: kinase substrate recognition.
EMBO J., 16, 1997
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5O56
 | | Glycogen Phosphorylase b in complex with 29b | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ... | | 著者 | Solovou, T.G.A, Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2017-05-31 | | 公開日 | 2017-09-27 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
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6S4H
 | | The crystal structure of glycogen phosphorylase in complex with 8 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-28 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6S52
 | | The crystal structure of glycogen phosphorylase in complex with 14 | | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-29 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6Y55
 | | The crystal structure of glycogen phosphorylase in complex with 43 | | 分子名称: | 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | 著者 | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2020-02-24 | | 公開日 | 2020-08-19 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
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6Y5C
 | | The crystal structure of glycogen phosphorylase in complex with 52 | | 分子名称: | 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | 著者 | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2020-02-25 | | 公開日 | 2020-08-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
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6YVE
 | | Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside | | 分子名称: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | | 著者 | Drakou, C.E, Gardeli, C, Tsialtas, I, Alexopoulos, S, Mallouchos, A, Koulas, S, Tsagkarakou, A, Asimakopoulos, D, Leonidas, D.D, Psarra, A.M, Skamnaki, V.T. | | 登録日 | 2020-04-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Affinity Crystallography Reveals Binding of Pomegranate Juice Anthocyanins at the Inhibitor Site of Glycogen Phosphorylase: The Contribution of a Sugar Moiety to Potency and Its Implications to the Binding Mode.
J.Agric.Food Chem., 68, 2020
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1C50
 | | IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF A NOVEL ALLOSTERIC BINDING SITE OF GLYCOGEN PHOSPHORYLASE B | | 分子名称: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | | 著者 | Oikonomakos, N.G, Skamnaki, V.T, Tsitsanou, K.E, Gavalas, N.G, Johnson, L.N. | | 登録日 | 1999-12-15 | | 公開日 | 1999-12-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A new allosteric site in glycogen phosphorylase b as a target for drug interactions.
Structure Fold.Des., 8, 2000
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1C8K
 | | FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE | | 分子名称: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | | 著者 | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | | 登録日 | 2000-05-11 | | 公開日 | 2000-05-24 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site.
J.Biol.Chem., 275, 2000
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6Y5O
 | | The crystal structure of glycogen phosphorylase in complex with 20 | | 分子名称: | 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | 著者 | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2020-02-25 | | 公開日 | 2020-08-19 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
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1C8L
 | | SYNERGISTIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG AND CAFFEINE | | 分子名称: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, CAFFEINE, GLYCEROL, ... | | 著者 | Tsitsanou, K.E, Skamnaki, V.T, Oikonomakos, N.G. | | 登録日 | 2000-05-16 | | 公開日 | 2000-05-31 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis of the synergistic inhibition of glycogen phosphorylase a by caffeine and a potential antidiabetic drug.
Arch.Biochem.Biophys., 384, 2000
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1E1Y
 | | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site | | 分子名称: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ... | | 著者 | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | | 登録日 | 2000-05-11 | | 公開日 | 2000-05-17 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Flavopiridol Inhibits Glycogen Phosphorylase by Binding at the Inhibitor Site
J.Biol.Chem., 275, 2000
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6S4O
 | | The crystal structure of glycogen phosphorylase in complex with 9 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-28 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6S4R
 | | The crystal structure of glycogen phosphorylase in complex with 11 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Papaioannou, O.S.E, Solovou, T.G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-28 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6S4P
 | | The crystal structure of glycogen phosphorylase in complex with 13 | | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-28 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6S51
 | | The crystal structure of glycogen phosphorylase in complex with 10 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-29 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6S4K
 | | The crystal structure of glycogen phosphorylase in complex with 12 | | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-28 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6F3L
 | | The crystal structure of Glycogen Phosphorylase in complex with 10b | | 分子名称: | 6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2017-11-28 | | 公開日 | 2018-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
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