PDB: 391 件ウェブページステータス検索Chemie searchBIRD

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3DYG	T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... 著者 Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. 登録日 2008-07-27 公開日 2009-05-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
3EGT	T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722 分子名称: 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION 著者 Cao, R, Gao, Y, Robinson, H, Oldfield, E. 登録日 2008-09-11 公開日 2009-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
3EFQ	T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714 分子名称: 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION 著者 Cao, R, Gao, Y, Robinson, H, Oldfield, E. 登録日 2008-09-09 公開日 2009-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
3EZ3	Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound 分子名称: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... 著者 Wernimont, A.K, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) 登録日 2008-10-22 公開日 2008-12-02 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.304 Å) 主引用文献 Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound TO BE PUBLISHED
3ID0	Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 3-Fluoro-1-(2-hydroxy-2,2-bisphosphono-ethyl)pyridinium 分子名称: 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... 著者 Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. 登録日 2009-07-19 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
3ICZ	Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-Bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, ... 著者 Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. 登録日 2009-07-19 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
3IPI	Crystal Structure of a Geranyltranstransferase from the Methanosarcina mazei 分子名称: Geranyltranstransferase, MALONIC ACID 著者 Kumaran, D, Mohammed, M.B, Brown, A, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2009-08-17 公開日 2009-09-08 最終更新日 2021-02-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of a Geranyltranstransferase from the Methanosarcina mazei To be Published
3IBA	Crystal structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with zoledronate, IPP and Mg2+ 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... 著者 Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. 登録日 2009-07-15 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
3ICK	Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with minodronate and isopentenyl disphosphate 分子名称: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETIC ACID, ... 著者 Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. 登録日 2009-07-17 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
3ICN	Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate and 3-Fluoro-1-(2-hydroxy-2,2-bis-phosphono-ethyl)-pyridinium 分子名称: 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... 著者 Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. 登録日 2009-07-17 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
3ICM	Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate, Mg2+ and 1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3-phenyl-pyridinium 分子名称: 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... 著者 Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. 登録日 2009-07-17 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
6OAG	Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82 分子名称: Farnesyl pyrophosphate synthase, PHOSPHATE ION, [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid 著者 Park, J, Berghuis, A.M. 登録日 2019-03-16 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS). J.Med.Chem., 62, 2019
6R04	T. cruzi FPPS 分子名称: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R08	T. cruzi FPPS in complex with 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid 分子名称: 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R06	T. CRUZI FPPS IN COMPLEX WITH (3S,4S)-4-(3,4-dimethylphenoxy)-1-(prop-2-yn-1-yl)piperidin-3-ol 分子名称: (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Wolfgang, J. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.559 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R0B	T. cruzi FPPS in complex with 3-((4-(5-chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol 分子名称: 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.612 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R05	T. CRUZI FPPS IN COMPLEX WITH N-BENZYL-6-METHYLPYRIDIN-2-AMINE 分子名称: 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R07	T. cruzi 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 diphosphate synthase, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R09	T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole 分子名称: 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R0A	T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol 分子名称: 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R4V	Crystal structure of human geranylgeranyl diphosphate synthase bound to ibandronate 分子名称: GLYCEROL, Geranylgeranyl pyrophosphate synthase, IBANDRONATE, ... 著者 Lisnyansky, M, Giladi, M, Haitin, Y. 登録日 2019-03-24 公開日 2019-09-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.202 Å) 主引用文献 Metal Coordination Is Crucial for Geranylgeranyl Diphosphate Synthase-Bisphosphonate Interactions: A Crystallographic and Computational Analysis. Mol.Pharmacol., 96, 2019
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
6R36	T. brucei farnesyl pyrophosphate synthase (FPPS) 分子名称: DI(HYDROXYETHYL)ETHER, 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 (1.67 Å) 主引用文献 Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase. Chembiochem, 21, 2020
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
6R39	T. brucei FPPS in complex with 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid 分子名称: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, 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 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019

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