6R0A
| T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | Descriptor: | 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R0H
| Glycogen Phosphorylase b in complex with 3 | Descriptor: | 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide, Glycogen phosphorylase, muscle form, ... | Authors: | Tsagkarakou, S.A, Koulas, M.S, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-03-13 | Release date: | 2019-04-10 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors. Molecules, 24, 2019
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6R0I
| Glycogen Phosphorylase b in complex with 4 | Descriptor: | Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Koulas, M.S, Tsagkarakou, S.A, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-03-13 | Release date: | 2019-04-17 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors. Molecules, 24, 2019
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3KRF
| Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (I) | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | Deposit date: | 2009-11-18 | Release date: | 2010-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
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6R36
| T. brucei farnesyl pyrophosphate synthase (FPPS) | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-19 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase. Chembiochem, 21, 2020
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3KRC
| Mint heterotetrameric geranyl pyrophosphate synthase in complex with IPP | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ... | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | Deposit date: | 2009-11-18 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
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3KRP
| Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium and GPP | Descriptor: | 1,2-ETHANEDIOL, GERANYL DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ... | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | Deposit date: | 2009-11-19 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
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6S4H
| The crystal structure of glycogen phosphorylase in complex with 8 | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-28 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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6S52
| The crystal structure of glycogen phosphorylase in complex with 14 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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3L7D
| Crystal Structure of Glycogen Phosphorylase DK5 complex | Descriptor: | 1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-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 (2 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
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3LOM
| CRYSTAL STRUCTURE OF GERANYLTRANSFERASE FROM Legionella pneumophila | Descriptor: | Geranyltranstransferase, PHOSPHATE ION | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-02-04 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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6S4P
| The crystal structure of glycogen phosphorylase in complex with 13 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-28 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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5QPM
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000500a | Descriptor: | 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQB
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000676a | Descriptor: | 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPD
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000293a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPX
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000534a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QT8
| T. brucei FPPS in complex with CAS 34105-16-3 | Descriptor: | (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-08-07 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | T. brucei FPPS in complex with CAS 34105-16-3 To Be Published
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5QPG
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000291a | Descriptor: | 3-(azepan-1-ylmethyl)-1~{H}-indole, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPV
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000416a | Descriptor: | (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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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
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3LLW
| Crystal structure of geranyltransferase from helicobacter pylori 26695 | Descriptor: | Geranyltranstransferase (IspA), SULFATE ION | Authors: | Patskovsky, Y, 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: | 2010-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Geranyltransferase from Helicobacter Pylori To be Published
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5QPN
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000576a | Descriptor: | 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQ0
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00000046b | Descriptor: | 2-morpholin-4-ylaniline, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQ6
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000530a | Descriptor: | (3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPH
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000315a | Descriptor: | 4-(4-ethylcyclohexyl)morpholine, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-04-04 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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