5QTD
 
 | | Unliganded T. brucei FPPS | | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-09 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.642 Å) | | Cite: | Unliganded T. brucei FPPS
To Be Published
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5QTC
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6R36
 | | T. brucei farnesyl pyrophosphate synthase (FPPS) | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020
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5QTF
 | | T. brucei FPPS in complex with CID 144539 | | Descriptor: | 1-(3-chloro-4-fluorophenyl)methanamine, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-09 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | T. brucei FPPS in complex with CID 144539
To Be Published
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5QTK
 | | T. brucei FPPS in complex with CID 69539 | | Descriptor: | Farnesyl pyrophosphate synthase, N,N-diethyl-4-methylbenzene-1-sulfonamide, PHOSPHATE ION, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-09 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | T. brucei FPPS in complex with CID 69539
To Be Published
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5QTH
 | | T. brucei FPPS in complex with CID 2799882 | | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-09 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.887 Å) | | Cite: | T. brucei FPPS in complex with CID 2799882
To Be Published
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3DYH
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721 | | Descriptor: | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | Deposit date: | 2008-07-27 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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5QTB
 | | T. brucei FPPS in complex with CID 303798 | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-08-07 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.965 Å) | | Cite: | T. brucei FPPS in complex with CID 303798
To Be Published
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3EGT
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722 | | Descriptor: | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | | Deposit date: | 2008-09-11 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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3EFQ
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714 | | Descriptor: | 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | | Deposit date: | 2008-09-09 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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4RXD
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2OGD
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | Deposit date: | 2007-01-05 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bisphosphonates: Teaching Old Drugs with New Tricks
TO BE PUBLISHED
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5QTE
 | | T. brucei FPPS in complex with CID 4563894 | | Descriptor: | (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-09 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.072 Å) | | Cite: | T. brucei FPPS in complex with CID 4563894
To Be Published
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5QTG
 | | T. brucei FPPS in complex with CID 126782062 | | Descriptor: | 2-fluoro-N,3-dimethylbenzene-1-sulfonamide, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-09 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | T. brucei FPPS in complex with CID 126782062
To Be Published
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3DYG
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | Deposit date: | 2008-07-27 | | Release date: | 2009-05-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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6R37
 | | T. brucei 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 pyrophosphate synthase | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery
Thesis, 2019
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5QTJ
 | | T. brucei FPPS in complex with CID 47256035 | | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-09 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | T. brucei FPPS in complex with CID 47256035
To Be Published
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5QTI
 | | T. brucei FPPS in complex with CID 62483448 | | Descriptor: | 3-(2-bromophenoxy)pyridazine, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-09 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.112 Å) | | Cite: | T. brucei FPPS in complex with CID 62483448
To Be Published
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5QTA
 | | T. brucei FPPS in complex with CID 2804072 | | Descriptor: | 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-08-07 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | T. brucei FPPS in complex with CID 2804072
To Be Published
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5QT5
 | | T. brucei FPPS in complex with CID 89021 | | Descriptor: | 6-ethylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-08-07 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.143 Å) | | Cite: | T. brucei FPPS in complex with CID 89021
To Be Published
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5QT6
 | | T. brucei FPPS in complex with CID 112445 | | Descriptor: | 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-08-07 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.189 Å) | | Cite: | T. brucei FPPS in complex with CID 112445
To Be Published
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5QT9
 | | T. brucei FPPS in complex with CID 23155989 | | Descriptor: | (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-08-07 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | T. brucei FPPS in complex with CID 23155989
To Be Published
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4RYP
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2I19
 | | T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | | Authors: | Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E. | | Deposit date: | 2006-08-13 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006
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5QT7
 | | T. brucei FPPS in complex with CID 66669982 | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase, ... | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-08-07 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | T. brucei FPPS in complex with CID 66669982
To Be Published
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