3N45
| Human FPPS complex with FBS_04 and zoledronic acid/MG2+ | Descriptor: | (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ... | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-21 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
|
|
2PYI
| Crystal structure of Glycogen Phosphorylase in complex with glucosyl triazoleacetamide | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | Authors: | Alexacou, K.M, Tiraidis, C, Zographos, S.E, Chrysina, E.D, Hayes, J, Oikonomakos, N.G. | Deposit date: | 2007-05-16 | Release date: | 2008-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystallographic and computational studies on 4-phenyl-N-(beta-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: Comparison with alpha-D-glucose, N-acetyl-beta-D-glucopyranosylamine and N-benzoyl-N'-beta-D-glucopyranosyl urea binding. Proteins, 71, 2007
|
|
5QTH
| T. brucei FPPS in complex with CID 2799882 | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide, ... | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | Deposit date: | 2019-08-09 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.887 Å) | Cite: | T. brucei FPPS in complex with CID 2799882 To Be Published
|
|
1VPP
| COMPLEX BETWEEN VEGF AND A RECEPTOR BLOCKING PEPTIDE | Descriptor: | PROTEIN (PEPTIDE V108), PROTEIN (VASCULAR ENDOTHELIAL GROWTH FACTOR) | Authors: | Wiesmann, C, Christinger, H.W, Cochran, A.G, Cunningham, B.C, Fairbrother, W.J, Keenan, C.J, Meng, G, de Vos, A.M. | Deposit date: | 1998-10-09 | Release date: | 1999-02-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the complex between VEGF and a receptor-blocking peptide. Biochemistry, 37, 1998
|
|
3EBO
| Glycogen Phosphorylase b/Chrysin complex | Descriptor: | Glycogen phosphorylase, muscle form, chrysin | Authors: | Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M. | Deposit date: | 2008-08-28 | Release date: | 2009-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol Food Chem.Toxicol., 61, 2013
|
|
2FTZ
| |
3L7A
| Crystal Structure of Glycogen Phosphorylase DK2 complex | Descriptor: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form | Authors: | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | Deposit date: | 2009-12-28 | Release date: | 2010-10-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
|
|
3LK5
| Crystal structure of putative Geranylgeranyl pyrophosphate synthase from Corynebacterium glutamicum | Descriptor: | GLYCEROL, Geranylgeranyl pyrophosphate synthase | Authors: | Malashkevich, V.N, Toro, R, Patskovsky, Y, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-01-27 | Release date: | 2010-03-09 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of putative Geranylgeranyl pyrophosphate synthase from Corynebacterium glutamicum Atcc 13032 To be Published
|
|
4CTO
| Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide, ... | Authors: | Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D. | Deposit date: | 2014-03-15 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods. Bioorg.Med.Chem., 22, 2014
|
|
1WQ8
| Crystal structure of Vammin, a VEGF-F from a snake venom | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Vascular endothelial growth factor toxin | Authors: | Suto, K, Yamazaki, Y, Morita, T, Mizuno, H. | Deposit date: | 2004-09-23 | Release date: | 2004-12-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of novel vascular endothelial growth factors (VEGF) from snake venoms: insight into selective VEGF binding to kinase insert domain-containing receptor but not to fms-like tyrosine kinase-1. J.Biol.Chem., 280, 2005
|
|
6E0I
| Crystal structure of Glucokinase in complex with compound 72 | Descriptor: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ... | Authors: | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | Deposit date: | 2018-07-06 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg.Med.Chem., 28, 2020
|
|
1WW2
| Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-D-glucopyranosylamine and N-trifluoroacetyl-beta-D-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase | Descriptor: | Glycogen phosphorylase, muscle form, N-acetyl-beta-D-glucopyranosylamine, ... | Authors: | Anagnostou, E, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Hadjiloi, T, Tiraidis, C, Zographos, S.E, Gyorgydeak, Z, Somsak, L, Docsa, T, Gergely, P, Kolisis, F.N, Oikonomakos, N.G. | Deposit date: | 2004-12-30 | Release date: | 2005-12-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-d-glucopyranosylamine and N-trifluoroacetyl-beta-d-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase Bioorg.Med.Chem., 14, 2006
|
|
2Z4X
| S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21) | Descriptor: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
|
|
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
|
|
3IPI
| Crystal Structure of a Geranyltranstransferase from the Methanosarcina mazei | Descriptor: | Geranyltranstransferase, MALONIC ACID | Authors: | Kumaran, D, Mohammed, M.B, Brown, A, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-08-17 | Release date: | 2009-09-08 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of a Geranyltranstransferase from the Methanosarcina mazei To be Published
|
|
6F3L
| The crystal structure of Glycogen Phosphorylase in complex with 10b | Descriptor: | 6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid, 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
|
|
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
|
|
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
|
|
2C4M
| |
6Y8M
| |
8A6V
| PcIDS1 in complex with Mg2+ and IPP | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-20 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
|
|
4QXS
| Crystal structure of human FPPS in complex with WC01088 | Descriptor: | (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ... | Authors: | Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2014-07-21 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase. Bioorg.Med.Chem.Lett., 25, 2015
|
|
8A74
| PcIDS1_F315A in complex with Mg2+ and GPP | Descriptor: | GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-20 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
|
|
2IEG
| Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone | Descriptor: | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Glycogen phosphorylase, ... | Authors: | Birch, A.M, Kenny, P.W, Oikonomakos, N.G, Otterbein, L, Schofield, P, Whittamore, P.R.O, Whalley, D.P, Rowsell, S, Pauptit, R, Pannifer, A, Breed, J, Minshull, C. | Deposit date: | 2006-09-19 | Release date: | 2006-12-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
4XP7
| Crystal structure of Human tRNA dihydrouridine synthase 2 | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, tRNA-dihydrouridine(20) synthase [NAD(P)+]-like | Authors: | Whelan, F, Jenkins, H.T, Griffiths, S, Byrne, R.T, Dodson, E.J, Antson, A.A. | Deposit date: | 2015-01-16 | Release date: | 2015-01-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From bacterial to human dihydrouridine synthase: automated structure determination. Acta Crystallogr.,Sect.D, 71, 2015
|
|