3N45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n45 by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pyi by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qth by Molmil](/molmil-images/mine/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
|
|
1GPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gpb by Molmil](/molmil-images/mine/1gpb) | |
6SFA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sfa by Molmil](/molmil-images/mine/6sfa) | |
1WQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wq8 by Molmil](/molmil-images/mine/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
|
|
2QRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qrm by Molmil](/molmil-images/mine/2qrm) | Glycogen Phosphorylase b in complex with (1R)-3'-(4-nitrophenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Descriptor: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol, Glycogen phosphorylase, muscle form | 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: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Bioorg.Med.Chem., 17, 2009
|
|
6Y8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y8m by Molmil](/molmil-images/mine/6y8m) | |
6T7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t7n by Molmil](/molmil-images/mine/6t7n) | |
2QN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qn8 by Molmil](/molmil-images/mine/2qn8) | Glycogen Phosphorylase b in complex with N-4-nitrobenzoyl-N'-beta-D-glucopyranosyl urea | Descriptor: | Glycogen phosphorylase, muscle form, N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-18 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | N-(4-substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas, inhibitors of glycogen phosphorylase: synthesis, kinetic and crystallographic evaluation To be Published
|
|
2Z4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z4x by Molmil](/molmil-images/mine/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
|
|
1WW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ww2 by Molmil](/molmil-images/mine/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
|
|
8A6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a6v by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qxs by Molmil](/molmil-images/mine/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
|
|
4XP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xp7 by Molmil](/molmil-images/mine/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
|
|
8A74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a74 by Molmil](/molmil-images/mine/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
|
|
3L7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l7a by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lk5 by Molmil](/molmil-images/mine/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
|
|
3LMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lmd by Molmil](/molmil-images/mine/3lmd) | Crystal structure of geranylgeranyl pyrophosphate synthase from corynebacterium glutamicum atcc 13032 | Descriptor: | Geranylgeranyl pyrophosphate synthase | Authors: | Patskovsky, Y, Ho, M, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-01-29 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Geranylgeranyl Pyrophosphate Synthase from Corynebacterium Glutamicum To be Published
|
|
1CZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cza by Molmil](/molmil-images/mine/1cza) | MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, ... | Authors: | Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | Deposit date: | 1999-09-01 | Release date: | 2000-03-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation. J.Mol.Biol., 296, 2000
|
|
5O52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o52 by Molmil](/molmil-images/mine/5o52) | Glycogen Phosphorylase b in complex with 33b | Descriptor: | (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, ... | Authors: | Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, 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 (1.9 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
|
|
5O50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o50 by Molmil](/molmil-images/mine/5o50) | Glycogen Phosphorylase b in complex with 33a | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ... | Authors: | Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, 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 (1.9 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
|
|
8QOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qoi by Molmil](/molmil-images/mine/8qoi) | Structure of the human 80S ribosome at 1.9 A resolution - the molecular role of chemical modifications and ions in RNA | Descriptor: | 18S rRNA (1740-MER), 28S rRNA (3773-MER), 40S ribosomal protein S10, ... | Authors: | Holvec, S, Barchet, C, Frechin, L, Hazemann, I, von Loeffelholz, O, Klaholz, B.P. | Deposit date: | 2023-09-29 | Release date: | 2024-06-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | The structure of the human 80S ribosome at 1.9 angstrom resolution reveals the molecular role of chemical modifications and ions in RNA. Nat.Struct.Mol.Biol., 2024
|
|
6E0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e0i by Molmil](/molmil-images/mine/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
|
|
1JIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jiq by Molmil](/molmil-images/mine/1jiq) | Crystal Structure of Human Autocrine Motility Factor | Descriptor: | autocrine motility factor | Authors: | Tanaka, N, Haga, A, Uemura, H, Akiyama, H, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T. | Deposit date: | 2001-07-02 | Release date: | 2002-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition mechanism of cytokine activity of human autocrine motility factor examined by crystal structure analyses and site-directed mutagenesis studies. J.Mol.Biol., 318, 2002
|
|