5O52
 
 | | Glycogen Phosphorylase b in complex with 33b | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, 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 (1.9 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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4EL5
 | | Crystal structure of GPb in complex with DK12 | | 分子名称: | 5-ethynyl-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 | 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 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
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4EJ2
 | | Crystal structure of GPb in complex with DK10 | | 分子名称: | 1-(beta-D-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | 著者 | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2012-04-06 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.65 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
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4EKY
 | | Crystal structure of GPb in complex with DK15 | | 分子名称: | 1-(beta-D-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, 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 (2.45 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
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4EKE
 | | Crystal structure of GPb in complex with DK11 | | 分子名称: | 3-(beta-D-glucopyranosyl)-6-pentylfuro[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 | 2012-04-09 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 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
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4EL0
 | | 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
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5OWZ
 | | 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
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6SSZ
 | | Structure of the Plasmodium falciparum falcipain 2 protease in complex with an (E)-chalcone inhibitor. | | 分子名称: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one, Cysteine proteinase falcipain 2a | | 著者 | Machin, J, Kantsadi, A, Vakonakis, I. | | 登録日 | 2019-09-09 | | 公開日 | 2019-12-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site.
Malar.J., 18, 2019
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6SY0
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7OOG
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823 | | 分子名称: | 4-bromanylpyridin-2-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | 著者 | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | 登録日 | 2021-05-27 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites.
Acta Crystallogr.,Sect.F, 77, 2021
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7OOE
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z321318226 | | 分子名称: | AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... | | 著者 | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | 登録日 | 2021-05-27 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.369 Å) | | 主引用文献 | Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites.
Acta Crystallogr.,Sect.F, 77, 2021
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7P31
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 | | 分子名称: | 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | 著者 | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | 登録日 | 2021-07-06 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites.
Acta Crystallogr.,Sect.F, 77, 2021
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7ZLL
 | | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(morpholin-4-ylmethyl)quinolin-8-ol, UDP-glucose-glycoprotein glucosyltransferase-like protein, ... | | 著者 | Roversi, P, Zitzmann, N, Bayo, Y, Kantsadi, A.L, Chandran, A.V. | | 登録日 | 2022-04-15 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | | 主引用文献 | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint.
Iscience, 26, 2023
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5E13
 | | Crystal structure of Eosinophil-derived neurotoxin in complex with the triazole double-headed ribonucleoside 11c | | 分子名称: | 3'-{4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1H-1,2,3-triazol-1-yl}-3'-deoxyadenosine, Non-secretory ribonuclease | | 著者 | Chatzileontiadou, D.S.M, Stravodimos, G.A, Kantsadi, A.L, Leonidas, D.D. | | 登録日 | 2015-09-29 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Triazole double-headed ribonucleosides as inhibitors of eosinophil derived neurotoxin.
Bioorg.Chem., 63, 2015
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7NQZ
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1827898537 | | 分子名称: | (3S)-N-benzylpyrrolidin-3-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | 著者 | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | 登録日 | 2021-03-02 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.319 Å) | | 主引用文献 | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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7NQR
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z287256168 | | 分子名称: | (S)-N-(1-cyclopropylethyl)-6-methylpicolinamide, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AMP PHOSPHORAMIDATE, ... | | 著者 | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | 登録日 | 2021-03-02 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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7NQU
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z396380540 | | 分子名称: | AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... | | 著者 | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | 登録日 | 2021-03-02 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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7NQS
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1203107138 | | 分子名称: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, AMP PHOSPHORAMIDATE, GLYCEROL, ... | | 著者 | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | 登録日 | 2021-03-02 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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5OWY
 | | Glycogen Phosphorylase in complex with KS252 | | 分子名称: | 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]benzoic acid, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Stravodimos, G, Kantsadi, A, Chatzileontiadou, D, Leonidas, D. | | 登録日 | 2017-09-05 | | 公開日 | 2018-02-28 | | 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
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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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5OX1
 | | 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
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5OX3
 | | 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
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5OX0
 | | 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
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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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5O54
 | | 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
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