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PDB: 38 件

4RXC
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BU of 4rxc by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Homorisedronate BPH-6
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2014-12-09
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
5QT4
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T. brucei FPPS in complex with CID 3599333
分子名称: 1-[3-(4-chlorophenoxy)propyl]-1H-imidazole, 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 (2.324 Å)
主引用文献T. brucei FPPS in complex with CID 3599333
To Be Published
6SII
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T. brucei FPPS in complex with 1-((1H-indol-3-yl)methyl)-N-(3-chlorobenzyl)piperidin-4-amine
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, ~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-08-09
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献T. brucei FPPS
To Be Published
6R38
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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
5QT8
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BU of 5qt8 by Molmil
T. brucei FPPS in complex with CAS 34105-16-3
分子名称: (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol, 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 (2.35 Å)
主引用文献T. brucei FPPS in complex with CAS 34105-16-3
To Be Published
5AFX
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BU of 5afx by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238
分子名称: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
著者Yang, G, Oldfield, E, No, J.H.
登録日2015-01-27
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
2P1C
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BU of 2p1c by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-210
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, Farnesyl pyrophosphate synthase, ...
著者Cao, R, Gao, Y, Oldfield, E.
登録日2007-03-04
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases.
Proteins, 73, 2008
2EWG
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BU of 2ewg by Molmil
T. brucei Farnesyl Diphosphate Synthase Complexed with Minodronate
分子名称: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), MAGNESIUM ION, S-1,2-PROPANEDIOL, ...
著者Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E.
登録日2005-11-03
公開日2006-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.48 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
4RXE
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BU of 4rxe by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-14
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, {[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)
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 (2.5 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
5AEL
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BU of 5ael by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597
分子名称: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
著者Yang, G, Oldfield, E, No, J.H.
登録日2014-12-26
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
6R39
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BU of 6r39 by Molmil
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
3DYF
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BU of 3dyf by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 and Isopentyl Diphosphate
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2024-02-21
実験手法X-RAY DIFFRACTION (2.65 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
5AHU
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BU of 5ahu by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1326
分子名称: FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, MAGNESIUM ION, ...
著者Yang, G, Oldfield, E, No, J.H.
登録日2015-02-09
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
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