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7BUV
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BU of 7buv by Molmil
Eucommia ulmoides TPT3, crystal form 2
分子名称: FPS3
著者Kajiura, H, Yoshizawa, T, Tokumoto, Y, Suzuki, N, Takeno, S, Takeno, K.J, Yamashita, T, Tanaka, S, Kaneko, Y, Fujiyama, K, Matsumura, H, Nakazawa, Y.
登録日2020-04-08
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure-function studies of ultrahigh molecular weight isoprenes provide key insights into their biosynthesis.
Commun Biol, 4, 2021
7BUU
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BU of 7buu by Molmil
Eucommia ulmoides TPT3, crystal form 1
分子名称: FPS3
著者Kajiura, H, Yoshizawa, T, Tokumoto, Y, Suzuki, N, Takeno, S, Takeno, K.J, Yamashita, T, Tanaka, S, Kaneko, Y, Fujiyama, K, Matsumura, H, Nakazawa, Y.
登録日2020-04-08
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-function studies of ultrahigh molecular weight isoprenes provide key insights into their biosynthesis.
Commun Biol, 4, 2021
8HDL
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BU of 8hdl by Molmil
Crystal structure of ASFV trans geranylgeranyl diphosphate synthase B318L
分子名称: Trans-prenyltransferase
著者Zhao, H.F.
登録日2022-11-04
公開日2023-09-06
実験手法X-RAY DIFFRACTION (3.198 Å)
主引用文献Exploring AlphaFold2's Performance on Predicting Amino Acid Side-Chain Conformations and Its Utility in Crystal Structure Determination of B318L Protein.
Int J Mol Sci, 24, 2023
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
5AYP
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BU of 5ayp by Molmil
Crystal structure of Bacillus stearothermophilus Farnesyl pyrophosphate synthase
分子名称: Farnesyl diphosphate synthase
著者Makabe, K, Kijima, T.
登録日2015-08-26
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of Bacillus stearothermophilus Farnesyl pyrophosphate synthase
To Be Published
2H8O
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BU of 2h8o by Molmil
The 1.6A crystal structure of the geranyltransferase from Agrobacterium tumefaciens
分子名称: Geranyltranstransferase
著者Zhang, R, Xu, X, Gu, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-06-07
公開日2006-07-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The 1.6A crystal structure of the geranyltransferase from Agrobacterium tumefaciens
To be Published
6R4V
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BU of 6r4v by Molmil
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
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BU of 6r37 by Molmil
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
5JV0
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BU of 5jv0 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038
分子名称: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
6R36
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BU of 6r36 by Molmil
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
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BU of 6r38 by Molmil
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
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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
5JV1
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BU of 5jv1 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066
分子名称: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5JUZ
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BU of 5juz by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057
分子名称: CHLORIDE ION, Farnesyl pyrophosphate synthase, [(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid
著者Park, J, Magder, A, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5JV2
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BU of 5jv2 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-055
分子名称: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
著者Park, J, Magder, A, Tsakos, M, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
6N82
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BU of 6n82 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Farnesyl pyrophosphate synthase, ...
著者Park, J, Schilling, M.A, Berghuis, A.M.
登録日2018-11-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 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
5HN7
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BU of 5hn7 by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1158
分子名称: 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid, Farnesyl pyrophosphate synthase, putative
著者Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2016-01-18
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
5HNA
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BU of 5hna by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1251
分子名称: 4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid, Farnesyl pyrophosphate synthase, putative
著者Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2016-01-18
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
5HN8
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BU of 5hn8 by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1182
分子名称: 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid, Farnesyl pyrophosphate synthase, putative, ...
著者Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2016-01-18
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
5HN9
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BU of 5hn9 by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1186
分子名称: 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid, Farnesyl pyrophosphate synthase, putative
著者Liu, Y.-L, Zhang, Y, OIdfield, E.
登録日2016-01-18
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
5KSX
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BU of 5ksx by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor AM-02-072
分子名称: Farnesyl pyrophosphate synthase, PHOSPHATE ION, [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid
著者Park, J, Matralis, A, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-07-10
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
3ZMC
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BU of 3zmc by Molmil
Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PA01, with bound substrate molecule Geranyl pyrophosphate.
分子名称: DIMETHYL SULFOXIDE, GERANYL DIPHOSPHATE, GERANYLTRANSTRANSFERASE, ...
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2013-02-07
公開日2014-02-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa
Acta Crystallogr.,Sect.D, 71, 2015
3ZL6
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Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PAO1, with bound fragment KM10833.
分子名称: 2-(1,2-benzoxazol-3-yl)ethanoic acid, DIMETHYL SULFOXIDE, GERANYLTRANSTRANSFERASE, ...
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2013-01-28
公開日2014-02-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa.
Acta Crystallogr.,Sect.D, 71, 2015
3ZOU
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BU of 3zou by Molmil
Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PA01, with bound fragment SPB02696, and substrate geranyl pyrophosphate.
分子名称: 3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid, DIMETHYL SULFOXIDE, FARNESYL PYROPHOSPHATE SYNTHASE, ...
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2013-02-25
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa
Acta Crystallogr.,Sect.D, 71, 2015
6N7Y
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BU of 6n7y by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-102
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
著者Park, J, Berghuis, A.M.
登録日2018-11-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 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

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