5QPK
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![BU of 5qpk by Molmil](/molmil-images/mine/5qpk) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000586a | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQC
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![BU of 5qqc by Molmil](/molmil-images/mine/5qqc) | Crystal Structure of T. cruzi FPPS after initial refinement with no ligand modelled (structure $n) | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, MAGNESIUM ION, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-14 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model - FPPS screened against the DSI Fragment Library To Be Published
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5QPF
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![BU of 5qpf by Molmil](/molmil-images/mine/5qpf) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000478a | 分子名称: | 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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2JLS
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![BU of 2jls by Molmil](/molmil-images/mine/2jls) | Dengue virus 4 NS3 helicase in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | 登録日 | 2008-09-15 | 公開日 | 2008-11-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein. Embo J., 27, 2008
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2JLU
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![BU of 2jlu by Molmil](/molmil-images/mine/2jlu) | Dengue virus 4 NS3 helicase in complex with ssRNA | 分子名称: | 5'-R(*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', GLYCEROL, SERINE PROTEASE SUBUNIT NS3 | 著者 | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | 登録日 | 2008-09-15 | 公開日 | 2008-11-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein. Embo J., 27, 2008
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5QPW
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![BU of 5qpw by Molmil](/molmil-images/mine/5qpw) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000632a | 分子名称: | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPJ
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![BU of 5qpj by Molmil](/molmil-images/mine/5qpj) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000465a | 分子名称: | 2-methoxy-N-[(1R)-1-phenylethyl]acetamide, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-04-04 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQ1
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![BU of 5qq1 by Molmil](/molmil-images/mine/5qq1) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000699a | 分子名称: | 4-cyclopentylcarbonylpiperazin-2-one, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQ7
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![BU of 5qq7 by Molmil](/molmil-images/mine/5qq7) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000562a | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPI
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![BU of 5qpi by Molmil](/molmil-images/mine/5qpi) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000554a | 分子名称: | 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPT
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![BU of 5qpt by Molmil](/molmil-images/mine/5qpt) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000642a | 分子名称: | 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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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 | 分子名称: | 1-[4-(trifluoromethyloxy)phenyl]thiourea, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-04-04 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | 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 | 分子名称: | 1-[(4-fluorophenyl)methyl]benzimidazole, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPZ
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![BU of 5qpz by Molmil](/molmil-images/mine/5qpz) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000524a | 分子名称: | 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPE
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![BU of 5qpe by Molmil](/molmil-images/mine/5qpe) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000295a | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPY
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![BU of 5qpy by Molmil](/molmil-images/mine/5qpy) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000449a | 分子名称: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPR
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![BU of 5qpr by Molmil](/molmil-images/mine/5qpr) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00001145b | 分子名称: | 1-phenylmethoxyurea, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQ5
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![BU of 5qq5 by Molmil](/molmil-images/mine/5qq5) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with PKTTA024495b | 分子名称: | 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPQ
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![BU of 5qpq by Molmil](/molmil-images/mine/5qpq) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000631a | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQ8
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![BU of 5qq8 by Molmil](/molmil-images/mine/5qq8) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000563a | 分子名称: | 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPL
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![BU of 5qpl by Molmil](/molmil-images/mine/5qpl) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000464a | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, N-[(2S)-2-hydroxypropyl]-N'-phenylurea, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-04-04 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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6R37
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![BU of 6r37 by Molmil](/molmil-images/mine/6r37) | T. brucei FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid | 分子名称: | (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | 登録日 | 2019-03-19 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
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6R38
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![BU of 6r38 by Molmil](/molmil-images/mine/6r38) | T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid | 分子名称: | 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | 登録日 | 2019-03-19 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
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2F9K
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![BU of 2f9k by Molmil](/molmil-images/mine/2f9k) | Crystal structure of human FPPS in complex with Zoledronate and Zn2+ | 分子名称: | Farnesyl Diphosphate Synthase, PHOSPHATE ION, ZINC ION, ... | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | 登録日 | 2005-12-06 | 公開日 | 2006-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. Chemmedchem, 1, 2006
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2F8C
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![BU of 2f8c by Molmil](/molmil-images/mine/2f8c) | Crystal structure of FPPS in complex with Zoledronate | 分子名称: | Farnesyl Diphosphate Synthase, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | 登録日 | 2005-12-02 | 公開日 | 2006-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. Chemmedchem, 1, 2006
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