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6WW1
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BU of 6ww1 by Molmil
Crystal structure of the LmFPPS mutant E97Y
Descriptor: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
Authors:Maheshwari, S, Kim, Y.S, Gabelli, S.B.
Deposit date:2020-05-07
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
6N7Y
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BU of 6n7y by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-102
Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
Authors:Park, J, Berghuis, A.M.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
6N7Z
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BU of 6n7z by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Park, J, Berghuis, A.M.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
6N83
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BU of 6n83 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
Authors:Park, J, Schilling, M.A, Berghuis, A.M.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
7MY1
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BU of 7my1 by Molmil
Sy-CrtE structure with IPP, N-term His-tag
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, ...
Authors:Peat, T.S, Newman, J.
Deposit date:2021-05-19
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
7MY0
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BU of 7my0 by Molmil
Sy-CrtE IPP structure
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ...
Authors:Peat, T.S, Newman, J.
Deposit date:2021-05-19
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
7MY7
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BU of 7my7 by Molmil
Se-CrtE N-term His-tag structure
Descriptor: Farnesyl-diphosphate synthase
Authors:Peat, T.S, Newman, J.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
7MXZ
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BU of 7mxz by Molmil
Sy-CrtE apo structure
Descriptor: CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION
Authors:Peat, T.S, Newman, J.
Deposit date:2021-05-19
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
6OAH
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BU of 6oah by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-78
Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
Authors:Park, J, Berghuis, A.M.
Deposit date:2019-03-16
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
7MY6
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BU of 7my6 by Molmil
Se-CrtE C-term His-tag with IPP added
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, ...
Authors:Peat, T.S, Newman, J.
Deposit date:2021-05-20
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
6OAG
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BU of 6oag by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION, [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
Authors:Park, J, Berghuis, A.M.
Deposit date:2019-03-16
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
7S0M
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BU of 7s0m by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723T, bound with non-productive isopentenyl diphosphate
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S0A
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BU of 7s0a by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, H786A
Descriptor: Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S0H
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BU of 7s0h by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723Y
Descriptor: Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S09
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BU of 7s09 by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, F760A
Descriptor: Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S0L
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BU of 7s0l by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723F
Descriptor: Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
4XQR
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BU of 4xqr by Molmil
Crystal structure of unliganded human FPPS at 2.15 angstrom resolution
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of unliganded human FPPS at 2.15 angstrom resolution
To Be Published
4XQT
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BU of 4xqt by Molmil
Crystal structure of human FPPS in complex with three magnesium ions
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human FPPS in complex with three magnesium ions
To Be Published
4XQS
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BU of 4xqs by Molmil
Crystal structure of human FPPS in complex with one magnesium ion
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human FPPS in complex with one magnesium ion
To Be Published
5AHU
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BU of 5ahu by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1326
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, MAGNESIUM ION, ...
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2015-02-09
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
5AEL
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BU of 5ael by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2014-12-26
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
5AFX
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BU of 5afx by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2015-01-27
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
3RMG
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BU of 3rmg by Molmil
Crystal structure of geranylgeranyl pyrophosphate synthase from bacteroides thetaiotaomicron
Descriptor: Octaprenyl-diphosphate synthase
Authors:Patskovsky, Y, Toro, R, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-04-20
Release date:2011-05-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
3RYE
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BU of 3rye by Molmil
Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate
Descriptor: 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M.
Deposit date:2011-05-11
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate
To be Published
3RYW
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BU of 3ryw by Molmil
Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ...
Authors:No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E.
Deposit date:2011-05-11
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012

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