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6QA6
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BU of 6qa6 by Molmil
Glycogen Phosphorylase b in complex with 30
分子名称: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
著者Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
登録日2018-12-18
公開日2019-06-26
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
6QA8
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BU of 6qa8 by Molmil
Glycogen Phosphorylase b in complex with 28
分子名称: (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, ...
著者Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
登録日2018-12-18
公開日2019-06-26
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
6R0H
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BU of 6r0h by Molmil
Glycogen Phosphorylase b in complex with 3
分子名称: 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, ...
著者Tsagkarakou, S.A, Koulas, M.S, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
登録日2019-03-13
公開日2019-04-10
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
6R0I
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BU of 6r0i by Molmil
Glycogen Phosphorylase b in complex with 4
分子名称: Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
著者Koulas, M.S, Tsagkarakou, S.A, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
登録日2019-03-13
公開日2019-04-17
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
4MI6
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BU of 4mi6 by Molmil
Crystal structure of Gpb in complex with SUGAR (N-[4-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)BUTANOYL]-BETA-D-GLUCOPYRANOSYLAMINE)
分子名称: Glycogen phosphorylase, muscle form, N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-D-glucopyranosylamine
著者Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
4MHS
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BU of 4mhs by Molmil
Crystal structure of Gpb in complex with SUGAR (N-[(2E)-3-(BIPHENYL-4-YL)PROP-2-ENOYL]-BETA-D-GLUCOPYRANOSYLAMINE
分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
著者Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
4MHO
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BU of 4mho by Molmil
Crystal structure of Gpb in complex with S3, SUGAR (N-[(BIPHENYL-4-YLOXY)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE)
分子名称: Glycogen phosphorylase, muscle form, N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
4MIC
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BU of 4mic by Molmil
Crystal structure of Gpb in complex with SUGAR (N-{(2E)-3-[4-(PROPAN-2-YL)PHENYL]PROP-2-ENOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S6)
分子名称: Glycogen phosphorylase, muscle form, N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-D-glucopyranosylamine
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
4MRA
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BU of 4mra by Molmil
Crystal structure of Gpb in complex with QUERCETIN
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
著者Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D.
登録日2013-09-17
公開日2014-05-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Biochemical and biological assessment of the inhibitory potency of extracts from vinification byproducts of Vitis vinifera extracts against glycogen phosphorylase.
Food Chem.Toxicol., 67, 2014
4MI3
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BU of 4mi3 by Molmil
Crystal structure of Gpb in complex with SUGAR (N-{(2R)-2-METHYL-3-[4-(PROPAN-2-YL)PHENYL]PROPANOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S21)
分子名称: Glycogen phosphorylase, muscle form, N-{(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-D-glucopyranosylamine
著者Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
4MI9
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BU of 4mi9 by Molmil
Crystal structure of Gpb in complex with SUGAR (N-[(3R)-3-(4-ETHYLPHENYL)BUTANOYL]-BETA-D-GLUCOPYRANOSYLAMINE) (S20)
分子名称: Glycogen phosphorylase, muscle form, N-[(3R)-3-(4-ethylphenyl)butanoyl]-beta-D-glucopyranosylamine
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
1K08
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BU of 1k08 by Molmil
Crystallographic Binding Study of 10 mM N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b
分子名称: Glycogen Phosphorylase, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE
著者Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P.
登録日2001-09-18
公開日2001-10-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Binding of N-acetyl-N '-beta-D-glucopyranosyl urea and N-benzoyl-N '-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002
1K06
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BU of 1k06 by Molmil
Crystallographic Binding Study of 100 mM N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b
分子名称: Glycogen Phosphorylase, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE
著者Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P.
登録日2001-09-18
公開日2001-10-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding of N-acetyl-N '-beta-D-glucopyranosyl urea and N-benzoyl-N '-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002
1KTI
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BU of 1kti by Molmil
BINDING OF 100 MM N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA TO GLYCOGEN PHOSPHORYLASE B: KINETIC AND CRYSTALLOGRAPHIC STUDIES
分子名称: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-(acetylcarbamoyl)-beta-D-glucopyranosylamine, ...
著者Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P.
登録日2002-01-16
公開日2002-01-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Binding of N-acetyl-N'-beta-D-glucopyranosyl urea and N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002
3T3I
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BU of 3t3i by Molmil
Glycogen Phosphorylase b in complex with GlcCF3U
分子名称: 1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
登録日2011-07-25
公開日2012-02-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase  b
Chemmedchem, 7, 2012
3SYR
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BU of 3syr by Molmil
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
3T3G
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BU of 3t3g by Molmil
Glycogen Phosphorylase b in complex with GlcBrU
分子名称: 5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
登録日2011-07-25
公開日2012-02-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase  b
Chemmedchem, 7, 2012
3SYM
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BU of 3sym by Molmil
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
3T3E
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BU of 3t3e by Molmil
Glycogen phosphorylase b in complex with GlcClU
分子名称: 5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
登録日2011-07-25
公開日2012-02-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase  b
Chemmedchem, 7, 2012
3T3H
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BU of 3t3h by Molmil
Glycogen Phosphorylase b in complex with GlcIU
分子名称: 1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
登録日2011-07-25
公開日2012-02-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase  b
Chemmedchem, 7, 2012
3S0J
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BU of 3s0j by Molmil
The crystal structure of glycogen phosphorylase b in complex with 2,5-dihydroxy-4-(beta-D-glucopyranosyl)-chlorobenzene
分子名称: (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol, Glycogen phosphorylase, muscle form
著者Alexacou, K.-M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G, Leonidas, D.D.
登録日2011-05-13
公開日2011-08-31
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Halogen-substituted (C-beta-D-glucopyranosyl)-hydroquinone regioisomers: synthesis, enzymatic evaluation and their binding to glycogen phosphorylase.
Bioorg.Med.Chem., 19, 2011
3T3D
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BU of 3t3d by Molmil
Glycogen phosphorylase b in complex with GlcU
分子名称: 1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
登録日2011-07-25
公開日2012-02-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase  b
Chemmedchem, 7, 2012
1LWO
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BU of 1lwo by Molmil
Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential hypoglycaemic drug at 2.0 A resolution
分子名称: 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose, ...
著者Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M.N, Leonidas, D.D.
登録日2002-06-01
公開日2002-06-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential hypoglycaemic drug at 2.0 A resolution
BIOCHEM.BIOPHYS.ACTA PROTEINS & PROTEOMICS, 1647, 2003
1LWN
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BU of 1lwn by Molmil
Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential hypoglycaemic drug at 2.0 A resolution
分子名称: PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose, glycogen phosphorylase
著者Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M, Leonidas, D.D.
登録日2002-06-01
公開日2002-06-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential hypoglycaemic drug at 2.0 A resolution
BIOCHEM.BIOPHYS.ACTA PROTEINS & PROTEOMICS, 1647, 2003
4YI5
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BU of 4yi5 by Molmil
Crystal structure of Gpb in complex with 4b
分子名称: Glycogen phosphorylase, muscle form, INOSINIC ACID, ...
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D.
登録日2015-02-27
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015

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