3T3H
 
 | | Glycogen Phosphorylase b in complex with GlcIU | | Descriptor: | 1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2011-07-25 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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
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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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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
 | | 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
 | | 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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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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4O9H
 | | Structure of Interleukin-6 in complex with a Camelid Fab fragment | | Descriptor: | Heavy Chain of the Camelid Fab fragment 61H7, Interleukin-6, Light Chain of the Camelid Fab fragment 61H7 | | Authors: | Klarenbeek, A, Blanchetot, C, Schragel, G, Sadi, A.S, Ongenae, N, Hemrika, W, Wijdenes, J, Spinelli, S, Desmyter, A, Cambillau, C, Hultberg, A, Kretz-rommel, A, Dreier, T, De haard, H.J.W, Roovers, R.C. | | Deposit date: | 2014-01-02 | | Release date: | 2015-04-15 | | Last modified: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Combining residues of naturally-occurring Camelid somatic affinity variants yields ultra-potent human therapeutic IL-6 antibodies
To be Published
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4ZS7
 | | Structural mimicry of receptor interaction by antagonistic IL-6 antibodies | | Descriptor: | Interleukin-6, Llama Fab fragment 68F2 heavy chain, Llama Fab fragment 68F2 light chain | | Authors: | Blanchetot, C, De Jonge, N, Desmyter, A, Ongenae, N, Hofman, E, Klarenbeek, A, Sadi, A, Hultberg, A, Kretz-Rommel, A, Spinelli, S, Loris, R, Cambillau, C, de Haard, H. | | Deposit date: | 2015-05-13 | | Release date: | 2016-05-04 | | Last modified: | 2016-07-06 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Structural Mimicry of Receptor Interaction by Antagonistic Interleukin-6 (IL-6) Antibodies.
J.Biol.Chem., 291, 2016
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5OX1
 | | Glycogen Phosphorylase in complex with JLH270 | | Descriptor: | (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, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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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5OWY
 | | Glycogen Phosphorylase in complex with KS252 | | Descriptor: | 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, ... | | Authors: | Kyriakis, E, Stravodimos, G, Kantsadi, A, Chatzileontiadou, D, Leonidas, D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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 | | Descriptor: | (1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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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5OX4
 | | Glycogen Phosphorylase in complex with CK900 | | Descriptor: | (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, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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 | | Descriptor: | (1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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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5OWZ
 | | Glycogen Phosphorylase in complex with KS172 | | Descriptor: | (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, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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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7ZLL
 | | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(morpholin-4-ylmethyl)quinolin-8-ol, UDP-glucose-glycoprotein glucosyltransferase-like protein, ... | | Authors: | Roversi, P, Zitzmann, N, Bayo, Y, Kantsadi, A.L, Chandran, A.V. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint.
Iscience, 26, 2023
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6NSQ
 | | Crystal structure of BRAF kinase domain bound to the inhibitor 2l | | Descriptor: | 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine, Serine/threonine-protein kinase B-raf | | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Zhang, C, Sicheri, F. | | Deposit date: | 2019-01-25 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases.
Acs Med.Chem.Lett., 10, 2019
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5E13
 | | Crystal structure of Eosinophil-derived neurotoxin in complex with the triazole double-headed ribonucleoside 11c | | Descriptor: | 3'-{4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1H-1,2,3-triazol-1-yl}-3'-deoxyadenosine, Non-secretory ribonuclease | | Authors: | Chatzileontiadou, D.S.M, Stravodimos, G.A, Kantsadi, A.L, Leonidas, D.D. | | Deposit date: | 2015-09-29 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Triazole double-headed ribonucleosides as inhibitors of eosinophil derived neurotoxin.
Bioorg.Chem., 63, 2015
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6CAD
 | | Crystal structure of RAF kinase domain bound to the inhibitor 2a | | Descriptor: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase B-raf | | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Liu, X, Chen, Y.-C, Prakash, G.K.S, Zhang, C, SIcheri, F. | | Deposit date: | 2018-01-30 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Effects of rigidity on the selectivity of protein kinase inhibitors.
Eur J Med Chem, 146, 2018
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7P31
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 | | Descriptor: | 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-07-06 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with small molecule ligands
To Be Published
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7NQZ
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1827898537 | | Descriptor: | (3S)-N-benzylpyrrolidin-3-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-03-02 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.319 Å) | | Cite: | 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 | | Descriptor: | (S)-N-(1-cyclopropylethyl)-6-methylpicolinamide, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AMP PHOSPHORAMIDATE, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-03-02 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | 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 | | Descriptor: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, AMP PHOSPHORAMIDATE, GLYCEROL, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-03-02 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | 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 | | Descriptor: | AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-03-02 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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7OOG
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823 | | Descriptor: | 4-bromanylpyridin-2-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-05-27 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823
To Be Published
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7OOE
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z321318226 | | Descriptor: | AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-05-27 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.369 Å) | | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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