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4EL0
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BU of 4el0 by Molmil
Crystal structure of GPb in complex with DK16
分子名称: 3-(beta-D-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3H)-one, Glycogen phosphorylase, muscle form
著者Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
登録日2012-04-10
公開日2012-07-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
3L7D
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BU of 3l7d by Molmil
Crystal Structure of Glycogen Phosphorylase DK5 complex
分子名称: 1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form
著者Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
登録日2009-12-28
公開日2010-10-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
3L7A
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BU of 3l7a by Molmil
Crystal Structure of Glycogen Phosphorylase DK2 complex
分子名称: 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form
著者Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
登録日2009-12-28
公開日2010-10-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
3L7B
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BU of 3l7b by Molmil
Crystal Structure of Glycogen Phosphorylase DK3 complex
分子名称: 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form
著者Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
登録日2009-12-28
公開日2010-10-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
3L79
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BU of 3l79 by Molmil
Crystal Structure of Glycogen Phosphorylase DK1 complex
分子名称: 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
登録日2009-12-28
公開日2010-10-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
3L7C
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BU of 3l7c by Molmil
Crystal Structure of Glycogen Phosphorylase DK4 complex
分子名称: 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
登録日2009-12-28
公開日2010-10-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
4G9N
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BU of 4g9n by Molmil
Crystal structure of the Rhizoctonia solani agglutinin in complex with N'-acetyl-galactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, agglutinin
著者Skamnaki, V.T, Kantsadi, A.L, Leonidas, D.D.
登録日2012-07-24
公開日2013-06-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the Rhizoctonia solani agglutinin reveals a domain-swapping dimeric assembly.
Febs J., 280, 2013
4G8Y
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BU of 4g8y by Molmil
Crystal structure of Ribonuclease A in complex with 5b
分子名称: 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine, Ribonuclease pancreatic
著者Chatzileontiadou, D.S.M, Kantsadi, A.L, Leonidas, D.D.
登録日2012-07-23
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation.
Bioorg.Med.Chem., 20, 2012
4G8V
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BU of 4g8v by Molmil
Crystal structure of Ribonuclease A in complex with 5a
分子名称: 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine, Ribonuclease pancreatic
著者Chatzileontiadou, D.S.M, Kantsadi, A.L, Leonidas, D.D.
登録日2012-07-23
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation.
Bioorg.Med.Chem., 20, 2012
4G9M
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BU of 4g9m by Molmil
Crystal structure of the Rhizoctonia solani agglutinin
分子名称: agglutinin
著者Skamnaki, V.T, Kantsadi, A.L, Leonidas, D.D.
登録日2012-07-24
公開日2013-06-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural analysis of the Rhizoctonia solani agglutinin reveals a domain-swapping dimeric assembly.
Febs J., 280, 2013
4G90
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BU of 4g90 by Molmil
Crystal structure of Ribonuclease A in complex with 5e
分子名称: 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine, Ribonuclease pancreatic
著者Chatzileontiadou, D.S.M, Kantsadi, A.L, Leonidas, D.D.
登録日2012-07-23
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation.
Bioorg.Med.Chem., 20, 2012
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
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
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
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
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
5OWZ
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BU of 5owz by Molmil
Glycogen Phosphorylase in complex with KS172
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
著者Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2017-09-05
公開日2018-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
5OX3
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BU of 5ox3 by Molmil
Glycogen Phosphorylase in complex with SzB102v
分子名称: (1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol, Glycogen phosphorylase, muscle form, ...
著者Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2017-09-05
公開日2018-02-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
5O54
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BU of 5o54 by Molmil
Glycogen Phosphorylase b in complex with 29a
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ...
著者Kyriakis, E, Solovou, T.G.A, 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
5OX1
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BU of 5ox1 by Molmil
Glycogen Phosphorylase in complex with JLH270
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
著者Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2017-09-05
公開日2018-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
5OX0
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BU of 5ox0 by Molmil
Glycogen Phosphorylase in complex with CK898
分子名称: (1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ...
著者Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2017-09-05
公開日2018-02-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
5OX4
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BU of 5ox4 by Molmil
Glycogen Phosphorylase in complex with CK900
分子名称: (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(4-aminophenyl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
著者Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2017-09-05
公開日2018-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
2FET
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BU of 2fet by Molmil
Synthesis of C-D-Glycopyranosyl-Hydroquinones and-Benzoquinones. Inhibition of PTP1B. Inhibition of and binding to glycogen phosphorylase in the crystal
分子名称: (1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol, Glycogen phosphorylase, muscle form, ...
著者Chrysina, E.D, Kosmopoulou, M.N, Leonidas, D.D, Oikonomakos, N.G.
登録日2005-12-16
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献In the Search of Glycogen Phosphorylase Inhibitors: Synthesis of C-D-Glycopyranosylbenzo(hydro)quinones Inhibition of and Binding to Glycogen Phosphorylase in the Crystal
Eur.J.Org.Chem., 4, 2007

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