6QA8
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![BU of 6qa8 by Molmil](/molmil-images/mine/6qa8) | Glycogen Phosphorylase b in complex with 28 | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
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6R0H
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![BU of 6r0h by Molmil](/molmil-images/mine/6r0h) | Glycogen Phosphorylase b in complex with 3 | Descriptor: | 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide, Glycogen phosphorylase, muscle form, ... | Authors: | Tsagkarakou, S.A, Koulas, M.S, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-03-13 | Release date: | 2019-04-10 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors. Molecules, 24, 2019
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6R0I
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![BU of 6r0i by Molmil](/molmil-images/mine/6r0i) | Glycogen Phosphorylase b in complex with 4 | Descriptor: | Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Koulas, M.S, Tsagkarakou, S.A, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-03-13 | Release date: | 2019-04-17 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors. Molecules, 24, 2019
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1C8L
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![BU of 1c8l by Molmil](/molmil-images/mine/1c8l) | SYNERGISTIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG AND CAFFEINE | Descriptor: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, CAFFEINE, GLYCEROL, ... | Authors: | Tsitsanou, K.E, Skamnaki, V.T, Oikonomakos, N.G. | Deposit date: | 2000-05-16 | Release date: | 2000-05-31 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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6S4O
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![BU of 6s4o by Molmil](/molmil-images/mine/6s4o) | The crystal structure of glycogen phosphorylase in complex with 9 | Descriptor: | (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, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-28 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 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
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![BU of 6s4r by Molmil](/molmil-images/mine/6s4r) | The crystal structure of glycogen phosphorylase in complex with 11 | Descriptor: | (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, ... | Authors: | Kyriakis, E, Papaioannou, O.S.E, Solovou, T.G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-28 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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6F3J
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![BU of 6f3j by Molmil](/molmil-images/mine/6f3j) | The crystal structure of Glycogen Phosphorylase in complex with 10a | Descriptor: | 4-[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]phenyl]benzoic acid, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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6F3S
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![BU of 6f3s by Molmil](/molmil-images/mine/6f3s) | The crystal structure of Glycogen Phosphorylase in complex with 10d | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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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6S4P
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![BU of 6s4p by Molmil](/molmil-images/mine/6s4p) | The crystal structure of glycogen phosphorylase in complex with 13 | Descriptor: | (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, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-28 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | 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
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![BU of 6s51 by Molmil](/molmil-images/mine/6s51) | The crystal structure of glycogen phosphorylase in complex with 10 | Descriptor: | (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, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | 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
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![BU of 6s4k by Molmil](/molmil-images/mine/6s4k) | The crystal structure of glycogen phosphorylase in complex with 12 | Descriptor: | (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, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-28 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | 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
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![BU of 6f3l by Molmil](/molmil-images/mine/6f3l) | The crystal structure of Glycogen Phosphorylase in complex with 10b | Descriptor: | 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, ... | Authors: | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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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6F3U
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![BU of 6f3u by Molmil](/molmil-images/mine/6f3u) | The crystal structure of Glycogen Phosphorylase in complex with 10h | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Gkerdi, A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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6F3R
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![BU of 6f3r by Molmil](/molmil-images/mine/6f3r) | The crystal structure of Glycogen Phosphorylase in complex with 10c | Descriptor: | (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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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6Y55
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![BU of 6y55 by Molmil](/molmil-images/mine/6y55) | The crystal structure of glycogen phosphorylase in complex with 43 | Descriptor: | 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | Authors: | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2020-02-24 | Release date: | 2020-08-19 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | 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
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![BU of 6y5c by Molmil](/molmil-images/mine/6y5c) | The crystal structure of glycogen phosphorylase in complex with 52 | Descriptor: | 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | Authors: | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2020-02-25 | Release date: | 2020-08-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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![BU of 6yve by Molmil](/molmil-images/mine/6yve) | Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | Authors: | 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. | Deposit date: | 2020-04-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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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6Y5O
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![BU of 6y5o by Molmil](/molmil-images/mine/6y5o) | The crystal structure of glycogen phosphorylase in complex with 20 | Descriptor: | 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | Authors: | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2020-02-25 | Release date: | 2020-08-19 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | 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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1GFZ
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![BU of 1gfz by Molmil](/molmil-images/mine/1gfz) | FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE | Descriptor: | CAFFEINE, GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, ... | Authors: | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | Deposit date: | 2000-06-29 | Release date: | 2000-07-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site. J.Biol.Chem., 275, 2000
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1BX3
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![BU of 1bx3 by Molmil](/molmil-images/mine/1bx3) | EFFECTS OF COMMONLY USED CRYOPROTECTANTS ON GLYCOGEN PHOSPHORYLASE ACTIVITY AND STRUCTURE | Descriptor: | PROTEIN (GLYCOGEN PHOSPHORYLASE B), PYRIDOXAL-5'-PHOSPHATE | Authors: | Tsitsanou, K.E, Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Gregoriou, M, Watson, K.A, Johnson, L.N, Fleet, G.W.J. | Deposit date: | 1999-10-13 | Release date: | 1999-10-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Effects of commonly used cryoprotectants on glycogen phosphorylase activity and structure. Protein Sci., 8, 1999
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4EL5
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![BU of 4el5 by Molmil](/molmil-images/mine/4el5) | Crystal structure of GPb in complex with DK12 | Descriptor: | 5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2012-04-10 | Release date: | 2012-07-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment. Eur.J.Med.Chem., 54, 2012
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4EJ2
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![BU of 4ej2 by Molmil](/molmil-images/mine/4ej2) | Crystal structure of GPb in complex with DK10 | Descriptor: | 1-(beta-D-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2012-04-06 | Release date: | 2012-07-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment. Eur.J.Med.Chem., 54, 2012
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4EL0
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![BU of 4el0 by Molmil](/molmil-images/mine/4el0) | Crystal structure of GPb in complex with DK16 | Descriptor: | 3-(beta-D-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3H)-one, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2012-04-10 | Release date: | 2012-07-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment. Eur.J.Med.Chem., 54, 2012
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4EKE
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![BU of 4eke by Molmil](/molmil-images/mine/4eke) | Crystal structure of GPb in complex with DK11 | Descriptor: | 3-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2012-04-09 | Release date: | 2012-07-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment. Eur.J.Med.Chem., 54, 2012
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4EKY
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![BU of 4eky by Molmil](/molmil-images/mine/4eky) | Crystal structure of GPb in complex with DK15 | Descriptor: | 1-(beta-D-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2012-04-10 | Release date: | 2012-07-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment. Eur.J.Med.Chem., 54, 2012
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