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4QPF
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BU of 4qpf by Molmil
New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
Authors:Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G.
Deposit date:2014-06-23
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
To be Published
3KRF
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BU of 3krf by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (I)
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-18
Release date:2010-02-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KRC
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BU of 3krc by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with IPP
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-18
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KRP
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BU of 3krp by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium and GPP
Descriptor: 1,2-ETHANEDIOL, GERANYL DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-19
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3ICM
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BU of 3icm by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate, Mg2+ and 1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3-phenyl-pyridinium
Descriptor: 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
Authors:Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
Deposit date:2009-07-17
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
3KRA
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BU of 3kra by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium
Descriptor: 1,2-ETHANEDIOL, Geranyl diphosphate synthase large subunit, Geranyl diphosphate synthase small subunit, ...
Authors:Chang, T.-H, Ko, T.-P, Hsieh, F.-L, Wang, A.H.-J.
Deposit date:2009-11-18
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KRO
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BU of 3kro by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (II)
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-19
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
8A6U
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BU of 8a6u by Molmil
PcIDS1 in complex with Mg2+
Descriptor: Isoprenyl diphosphate synthase, MAGNESIUM ION
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A7K
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BU of 8a7k by Molmil
PcIDS1 in complex with Mg2+/Mn2+, IPP, and ZOL
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-21
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A6V
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BU of 8a6v by Molmil
PcIDS1 in complex with Mg2+ and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A7L
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BU of 8a7l by Molmil
PcIDS1 in complex with Mg2+, GPP, and ZOL
Descriptor: GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-21
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A7C
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BU of 8a7c by Molmil
PcIDS1 in complex with Mg2+, IPP, and ZOL
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A7J
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BU of 8a7j by Molmil
PcIDS1 in complex with Mn2+, IPP, and ZOL
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-21
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A7A
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BU of 8a7a by Molmil
PcIDS1 in complex with Mg2+ and 3-Br-GPP
Descriptor: Isoprenyl diphosphate synthase, MAGNESIUM ION, [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A7R
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BU of 8a7r by Molmil
PcIDS1_I420A in complex with Mg2+ and GPP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GERANYL DIPHOSPHATE, GLYCEROL, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-21
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A7U
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BU of 8a7u by Molmil
PcIDS1_F315D in complex with Mg2+ and GPP
Descriptor: GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, F, Groll, M.
Deposit date:2022-06-21
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A6Z
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BU of 8a6z by Molmil
PcIDS1 in complex with Mn2+ and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A73
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BU of 8a73 by Molmil
PcIDS1 in complex with Mn2+ and GPP
Descriptor: GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A70
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BU of 8a70 by Molmil
PcIDS1 in complex with Mg2+ and GPP
Descriptor: GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A7B
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BU of 8a7b by Molmil
PcIDS1_D319N in complex with Mg2+ and 3-Br-GPP
Descriptor: CARBONATE ION, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A78
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BU of 8a78 by Molmil
PcIDS1_F315A in complex with Mg2+/Mn2+ and GPP
Descriptor: GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A74
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BU of 8a74 by Molmil
PcIDS1_F315A in complex with Mg2+ and GPP
Descriptor: GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
2Z4X
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BU of 2z4x by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21)
Descriptor: (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-06-26
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
2Z7I
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BU of 2z7i by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742
Descriptor: (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Chen, C.K.-M, Ko, T.-P, Cao, R, Hudock, M, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-08-23
Release date:2008-07-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
2Z4W
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BU of 2z4w by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749
Descriptor: Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)
Authors:Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-06-26
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008

227344

数据于2024-11-13公开中

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