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PDB: 38 件
5QTD
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Unliganded T. brucei FPPS
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献Unliganded T. brucei FPPS
To Be Published
5QTC
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Unliganded T. brucei FPPS
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
著者Muenzker, L, Petrick, J.P, Schleberger, C, Jahnke, W.
登録日2019-08-07
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.645 Å)
主引用文献Unliganded T. brucei FPPS
To Be Published
6R36
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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
5QTF
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T. brucei FPPS in complex with CID 144539
分子名称: 1-(3-chloro-4-fluorophenyl)methanamine, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献T. brucei FPPS in complex with CID 144539
To Be Published
5QTK
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T. brucei FPPS in complex with CID 69539
分子名称: Farnesyl pyrophosphate synthase, N,N-diethyl-4-methylbenzene-1-sulfonamide, PHOSPHATE ION, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.857 Å)
主引用文献T. brucei FPPS in complex with CID 69539
To Be Published
5QTH
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T. brucei FPPS in complex with CID 2799882
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献T. brucei FPPS in complex with CID 2799882
To Be Published
3DYH
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BU of 3dyh by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721
分子名称: 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM 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2024-02-21
実験手法X-RAY DIFFRACTION (1.94 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
5QTB
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T. brucei FPPS in complex with CID 303798
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2019-08-07
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.965 Å)
主引用文献T. brucei FPPS in complex with CID 303798
To Be Published
4RXD
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T. Brucei Farnesyl Diphosphate Synthase Complexed with Risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2014-12-10
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
3EGT
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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
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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
2OGD
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T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E.
登録日2007-01-05
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bisphosphonates: Teaching Old Drugs with New Tricks
TO BE PUBLISHED
5QTE
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T. brucei FPPS in complex with CID 4563894
分子名称: (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.072 Å)
主引用文献T. brucei FPPS in complex with CID 4563894
To Be Published
5QTG
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T. brucei FPPS in complex with CID 126782062
分子名称: 2-fluoro-N,3-dimethylbenzene-1-sulfonamide, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献T. brucei FPPS in complex with CID 126782062
To Be Published
3DYG
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BU of 3dyg by Molmil
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
6R37
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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
5QTJ
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BU of 5qtj by Molmil
T. brucei FPPS in complex with CID 47256035
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献T. brucei FPPS in complex with CID 47256035
To Be Published
5QTI
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BU of 5qti by Molmil
T. brucei FPPS in complex with CID 62483448
分子名称: 3-(2-bromophenoxy)pyridazine, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献T. brucei FPPS in complex with CID 62483448
To Be Published
5QTA
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T. brucei FPPS in complex with CID 2804072
分子名称: 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-08-07
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献T. brucei FPPS in complex with CID 2804072
To Be Published
5QT5
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T. brucei FPPS in complex with CID 89021
分子名称: 6-ethylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-08-07
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.143 Å)
主引用文献T. brucei FPPS in complex with CID 89021
To Be Published
5QT6
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T. brucei FPPS in complex with CID 112445
分子名称: 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-08-07
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.189 Å)
主引用文献T. brucei FPPS in complex with CID 112445
To Be Published
5QT9
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T. brucei FPPS in complex with CID 23155989
分子名称: (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-08-07
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献T. brucei FPPS in complex with CID 23155989
To Be Published
4RYP
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Crystal Structure of T. Brucei Farnesyl Diphosphate Synthase
分子名称: Farnesyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2014-12-16
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
2I19
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T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
著者Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E.
登録日2006-08-13
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006
5QT7
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T. brucei FPPS in complex with CID 66669982
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2019-08-07
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献T. brucei FPPS in complex with CID 66669982
To Be Published

 

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