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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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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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
| 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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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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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
| 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
| 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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8OJO
| Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol | Descriptor: | 1-deoxy-alpha-D-mannopyranose, 1-thio-beta-D-galactopyranose, Galectin-3, ... | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | Deposit date: | 2023-03-24 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
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8OJK
| Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonamide | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | Deposit date: | 2023-03-24 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
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8OJI
| Galectin-3 in complex with Methyl 2,6-anhydro-3-deoxy-3-S-(b-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonate | Descriptor: | 1-thio-beta-D-galactopyranose, CHLORIDE ION, Galectin-3, ... | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | Deposit date: | 2023-03-24 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
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8OJM
| Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-D-galacto-heptonamide | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | Deposit date: | 2023-03-24 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
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8PPN
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1WV1
| Crystallographic studies on acyl ureas, a new class of inhibitors of glycogenphosphorylase. Broad specificity of the allosteric site | Descriptor: | 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | Deposit date: | 2004-12-10 | Release date: | 2005-12-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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2QN2
| Glycogen Phosphorylase b in complex with Maslinic Acid | Descriptor: | Glycogen phosphorylase, muscle form, maslinic acid | Authors: | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | Deposit date: | 2007-07-17 | Release date: | 2008-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies J.Med.Chem., 51, 2008
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2QRQ
| Glycogen Phosphorylase b in complex with (1R)-3'-(4-methylphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Descriptor: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Gizilis, G, Alexacou, K.M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-28 | Release date: | 2008-07-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Bioorg.Med.Chem., 17, 2009
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1WUY
| Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site | Descriptor: | 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | Deposit date: | 2004-12-09 | Release date: | 2005-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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2QRG
| Glycogen Phosphorylase b in complex with (1R)-3'-(4-methoxyphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Descriptor: | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-3-(4-METHOXYPHENYL)-1,6-DIOXA-2-AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL, Glycogen phosphorylase, muscle form | Authors: | Kizilis, G, Alexacou, K.-M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-28 | Release date: | 2008-08-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Bioorg.Med.Chem., 17, 2009
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3IIM
| The structure of hCINAP-dADP complex at 2.0 angstroms resolution | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Zographos, S.E, Drakou, C.E, Leonidas, D.D. | Deposit date: | 2009-08-02 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies. Proteins, 80, 2012
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3IIK
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3IIJ
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3IIL
| The structure of hCINAP-MgADP-Pi complex at 2.0 angstroms resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Coilin-interacting nuclear ATPase protein, LITHIUM ION, ... | Authors: | Zographos, S.E, Drakou, C.E, Leonidas, D.D. | Deposit date: | 2009-08-02 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies. Proteins, 80, 2012
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1UZU
| Glycogen Phosphorylase b in complex with indirubin-5'-sulphonate | Descriptor: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ... | Authors: | Kosmopoulou, M.N, Leonidas, D.D, Chrysina, E.D, Bischler, N, Eisenbrand, G, Sakarellos, C.E, Pauptit, R, Oikonomakos, N.G. | Deposit date: | 2004-03-16 | Release date: | 2004-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binding of the potential antitumour agent indirubin-5-sulphonate at the inhibitor site of rabbit muscle glycogen phosphorylase b. Comparison with ligand binding to pCDK2-cyclin A complex. Eur. J. Biochem., 271, 2004
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1HDK
| Charcot-Leyden Crystal Protein - pCMBS Complex | Descriptor: | EOSINOPHIL LYSOPHOSPHOLIPASE, PARA-MERCURY-BENZENESULFONIC ACID | Authors: | Ackerman, S.J, Savage, M.P, Liu, L, Leonidas, D.D, Kwatia, M.A, Swaminathan, G.J, Acharya, K.R. | Deposit date: | 2000-11-16 | Release date: | 2001-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Charcot-Leyden Crystal Protein (Galectin-10) is not a Dual Function Galectin with Lysophospholipase Activity But Binds a Lysophospholipase Inhibitor in a Novel Structural Fashion. J.Biol.Chem., 277, 2002
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2FFR
| Crystallographic studies on N-azido-beta-D-glucopyranosylamine, an inhibitor of glycogen phosphorylase: comparison with N-acetyl-beta-D-glucopyranosylamine | Descriptor: | Glycogen phosphorylase, muscle form, N-(azidoacetyl)-beta-D-glucopyranosylamine, ... | Authors: | Petsalakis, E.I, Chrysina, E.D, Tiraidis, C, Hadjiloi, T, Leonidas, D.D, Oikonomakos, N.G, Aich, U, Varghese, B, Loganathan, D. | Deposit date: | 2005-12-20 | Release date: | 2006-06-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystallographic studies on N-azidoacetyl-beta-d-glucopyranosylamine, an inhibitor of glycogen phosphorylase: Comparison with N-acetyl-beta-d-glucopyranosylamine. Bioorg.Med.Chem., 14, 2006
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