1XC7
| Binding of beta-D-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: Kinetic and crystallographic studies | Descriptor: | Glycogen phosphorylase, muscle form, N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Kosmopoulou, M.N, Kardakaris, R, Bischler, N, Leonidas, D.D, Kannan, T, Loganathan, D, Oikonomakos, N.G. | Deposit date: | 2004-09-01 | Release date: | 2005-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Binding of beta-d-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: kinetic and crystallographic studies Bioorg.Med.Chem., 13, 2005
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8WD5
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6R0B
| T. cruzi FPPS in complex with 3-((4-(5-chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | Descriptor: | 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, Farnesyl diphosphate synthase, SULFATE ION, ... | 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 (1.612 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R05
| T. CRUZI FPPS IN COMPLEX WITH N-BENZYL-6-METHYLPYRIDIN-2-AMINE | Descriptor: | 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | 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 (1.57 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R07
| T. cruzi FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid | Descriptor: | (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, 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 (1.57 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R09
| T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole | Descriptor: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... | 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 (1.28 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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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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1VG7
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima F132A/L128A/I123A/D62A mutant | Descriptor: | octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-04-23 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products Biochemistry, 43, 2004
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8URV
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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
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1VG3
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima A76Y/S77F mutant | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-04-23 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products Biochemistry, 43, 2004
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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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6OAH
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1VG6
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima F132A/L128A/I123A mutant | Descriptor: | octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-04-23 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products Biochemistry, 43, 2004
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6R04
| T. cruzi FPPS | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | 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 (1.47 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R08
| T. cruzi FPPS in complex with 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid | Descriptor: | 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, Farnesyl diphosphate synthase, SULFATE ION, ... | 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 (1.44 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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1VG2
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima A76Y mutant | Descriptor: | octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-04-23 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products Biochemistry, 43, 2004
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1VPF
| STRUCTURE OF HUMAN VASCULAR ENDOTHELIAL GROWTH FACTOR | Descriptor: | VASCULAR ENDOTHELIAL GROWTH FACTOR | Authors: | Muller, Y.A, De Vos, A.M. | Deposit date: | 1997-04-08 | Release date: | 1998-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Vascular endothelial growth factor: crystal structure and functional mapping of the kinase domain receptor binding site. Proc.Natl.Acad.Sci.USA, 94, 1997
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6R39
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6OAG
| Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82 | Descriptor: | Farnesyl pyrophosphate synthase, PHOSPHATE ION, [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid | Authors: | Park, J, Berghuis, A.M. | Deposit date: | 2019-03-16 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS). J.Med.Chem., 62, 2019
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1UZU
| Glycogen Phosphorylase b in complex with indirubin-5'-sulphonate | Descriptor: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ... | Authors: | Kosmopoulou, M.N, Leonidas, D.D, Chrysina, E.D, Bischler, N, Eisenbrand, G, Sakarellos, C.E, Pauptit, R, Oikonomakos, N.G. | Deposit date: | 2004-03-16 | Release date: | 2004-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binding of the potential antitumour agent indirubin-5-sulphonate at the inhibitor site of rabbit muscle glycogen phosphorylase b. Comparison with ligand binding to pCDK2-cyclin A complex. Eur. J. Biochem., 271, 2004
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6R4V
| Crystal structure of human geranylgeranyl diphosphate synthase bound to ibandronate | Descriptor: | GLYCEROL, Geranylgeranyl pyrophosphate synthase, IBANDRONATE, ... | Authors: | Lisnyansky, M, Giladi, M, Haitin, Y. | Deposit date: | 2019-03-24 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Metal Coordination Is Crucial for Geranylgeranyl Diphosphate Synthase-Bisphosphonate Interactions: A Crystallographic and Computational Analysis. Mol.Pharmacol., 96, 2019
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6R38
| T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid | Descriptor: | 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, 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 (2.33 Å) | Cite: | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
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