4LLT
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![BU of 4llt by Molmil](/molmil-images/mine/4llt) | Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, Geranyltranstransferase | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-07-09 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site To be Published
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6R06
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![BU of 6r06 by Molmil](/molmil-images/mine/6r06) | T. CRUZI FPPS IN COMPLEX WITH (3S,4S)-4-(3,4-dimethylphenoxy)-1-(prop-2-yn-1-yl)piperidin-3-ol | Descriptor: | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Wolfgang, J. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.559 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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5R8L
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![BU of 5r8l by Molmil](/molmil-images/mine/5r8l) | |
7U34
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![BU of 7u34 by Molmil](/molmil-images/mine/7u34) | The structure of phosphoglucose isomerase from Aspergillus fumigatus | Descriptor: | CHLORIDE ION, CITRATE ANION, GLYCEROL, ... | Authors: | Yan, K, Kowalski, B, Fang, W, van Aalten, D. | Deposit date: | 2022-02-25 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis. Mbio, 13, 2022
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6R05
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![BU of 6r05 by Molmil](/molmil-images/mine/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
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![BU of 6r07 by Molmil](/molmil-images/mine/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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5QPG
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![BU of 5qpg by Molmil](/molmil-images/mine/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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5QQB
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![BU of 5qqb by Molmil](/molmil-images/mine/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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2WRY
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![BU of 2wry by Molmil](/molmil-images/mine/2wry) | Crystal structure of chicken cytokine interleukin 1 beta | Descriptor: | INTERLEUKIN-1BETA | Authors: | Lu, W.S, Cheng, C.S, Lyu, P.C, Lee, L.H, Wang, W.C, Yin, H.S. | Deposit date: | 2009-09-03 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Functional Comparison of Cytokine Interleukin-1 Beta from Chicken and Human. Mol.Immunol., 48, 2011
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5QQ4
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![BU of 5qq4 by Molmil](/molmil-images/mine/5qq4) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000276a | Descriptor: | 1-[4-(trifluoromethyloxy)phenyl]thiourea, 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 (1.58 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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2O2C
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![BU of 2o2c by Molmil](/molmil-images/mine/2o2c) | Crystal structure of phosphoglucose isomerase from T. brucei containing glucose-6-phosphate in the active site | Descriptor: | GLUCOSE-6-PHOSPHATE, GLYCEROL, Glucose-6-phosphate isomerase, ... | Authors: | Arsenieva, D, Mazock, G.H, Appavu, B.L, Jeffery, C.J. | Deposit date: | 2006-11-29 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of phosphoglucose isomerase from Trypanosoma brucei complexed with glucose-6-phosphate at 1.6 A resolution Proteins, 74, 2008
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1VHN
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![BU of 1vhn by Molmil](/molmil-images/mine/1vhn) | |
6SF9
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![BU of 6sf9 by Molmil](/molmil-images/mine/6sf9) | |
4QPF
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![BU of 4qpf by Molmil](/molmil-images/mine/4qpf) | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | Authors: | Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G. | Deposit date: | 2014-06-23 | Release date: | 2015-06-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption To be Published
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1MD6
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![BU of 1md6 by Molmil](/molmil-images/mine/1md6) | High resolution crystal structure of murine IL-1F5 reveals unique loop conformation for specificity | Descriptor: | interleukin 1 family, member 5 (delta) | Authors: | Pei, X.Y, Dunn, E.F, Gay, N.J, O'Neill, L.A. | Deposit date: | 2002-08-07 | Release date: | 2003-09-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-Resolution Structure of Murine Interleukin 1 Homologue IL-1F5 Reveals Unique Loop Conformations for Receptor Binding Specificity. Biochemistry, 42, 2003
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8A7A
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![BU of 8a7a by Molmil](/molmil-images/mine/8a7a) | PcIDS1 in complex with Mg2+ and 3-Br-GPP | Descriptor: | Isoprenyl diphosphate synthase, MAGNESIUM ION, [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate | 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 (1.6 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A73
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![BU of 8a73 by Molmil](/molmil-images/mine/8a73) | PcIDS1 in complex with Mn2+ 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 (1.6 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A78
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![BU of 8a78 by Molmil](/molmil-images/mine/8a78) | PcIDS1_F315A in complex with Mg2+/Mn2+ and GPP | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | 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 (1.6 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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5QPV
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![BU of 5qpv by Molmil](/molmil-images/mine/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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5QQ0
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![BU of 5qq0 by Molmil](/molmil-images/mine/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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5QQ3
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![BU of 5qq3 by Molmil](/molmil-images/mine/5qq3) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000672a | 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 (1.6 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPO
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![BU of 5qpo by Molmil](/molmil-images/mine/5qpo) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000574a | Descriptor: | 1-[(4-fluorophenyl)methyl]benzimidazole, 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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7ONF
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![BU of 7onf by Molmil](/molmil-images/mine/7onf) | The binding of p-coumaroyl glucose to glycogen phosphorylase reveals the relationship between structural data and effects on cell metabolome | Descriptor: | Glycogen phosphorylase, muscle form, INOSINIC ACID, ... | Authors: | Tsagkarakou, A.S, Koulas, S.M, Kyriakis, E, Drakou, C.E, Leonidas, D.D. | Deposit date: | 2021-05-25 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure activity relationship of the binding of p-coumaroyl glucose to glycogen phosphorylase and its effect on hepatic cell metabolic pathways Eur J Med Chem Rep, 3, 2021
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6ZBR
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![BU of 6zbr by Molmil](/molmil-images/mine/6zbr) | VEGF-A 13:107 crystallized with 4C bicyclic peptide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chains: P, PHOSPHATE ION, ... | Authors: | Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. | Deposit date: | 2020-06-09 | Release date: | 2021-06-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
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6ZFL
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![BU of 6zfl by Molmil](/molmil-images/mine/6zfl) | High resolution structure of VEGF-A 12:107 crystallized in tetragonal form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Vascular endothelial growth factor A | Authors: | Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
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