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PDB: 62 results

3T3H
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BU of 3t3h by Molmil
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
4EL5
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BU of 4el5 by Molmil
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
4EJ2
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BU of 4ej2 by Molmil
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
4EL0
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BU of 4el0 by Molmil
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
4EKE
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BU of 4eke by Molmil
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
4EKY
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BU of 4eky by Molmil
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
4ZS7
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BU of 4zs7 by Molmil
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
4O9H
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BU of 4o9h by Molmil
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
7ZLL
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BU of 7zll by Molmil
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
6NSQ
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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
7P31
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BU of 7p31 by Molmil
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
7OOG
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BU of 7oog by Molmil
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
7OOH
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BU of 7ooh by Molmil
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:2021-05-27
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818
To Be Published
7OOE
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BU of 7ooe by Molmil
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
5E13
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BU of 5e13 by Molmil
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
6SSZ
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BU of 6ssz by Molmil
Structure of the Plasmodium falciparum falcipain 2 protease in complex with an (E)-chalcone inhibitor.
Descriptor: (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one, Cysteine proteinase falcipain 2a
Authors:Machin, J, Kantsadi, A, Vakonakis, I.
Deposit date:2019-09-09
Release date:2019-12-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.45 Å)
Cite: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
5MCB
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BU of 5mcb by Molmil
Glycogen phosphorylase in complex with chlorogenic acid.
Descriptor: Chlorogenic acid, Glycogen phosphorylase, muscle form, ...
Authors:Leonidas, D.D, Stravodimos, G.A, Kyriakis, E, Chatzileontiadou, D.S.M, Kantsadi, A.L.
Deposit date:2016-11-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Affinity Crystallography Reveals the Bioactive Compounds of Industrial Juicing Byproducts of Punica granatum for Glycogen Phosphorylase.
Curr Drug Discov Technol, 15, 2018
6CAD
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BU of 6cad by Molmil
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
7NQZ
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BU of 7nqz by Molmil
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
7NQR
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BU of 7nqr by Molmil
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
7NQU
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BU of 7nqu by Molmil
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
7NQS
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BU of 7nqs by Molmil
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
5O54
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BU of 5o54 by Molmil
Glycogen Phosphorylase b in complex with 29a
Descriptor: (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, ...
Authors:Kyriakis, E, Solovou, T.G.A, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-05-31
Release date:2017-09-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
5OWY
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BU of 5owy by Molmil
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
5OX1
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BU of 5ox1 by Molmil
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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數據於2024-07-24公開中

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