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4H4C
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BU of 4h4c by Molmil
IspH in complex with (E)-4-fluoro-3-methylbut-2-enyl diphosphate
Descriptor: (2E)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M.
Deposit date:2012-09-17
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
Angew.Chem.Int.Ed.Engl., 52, 2013
4H4D
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BU of 4h4d by Molmil
IspH in complex with (E)-4-amino-3-methylbut-2-enyl diphosphate
Descriptor: (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M.
Deposit date:2012-09-17
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
Angew.Chem.Int.Ed.Engl., 52, 2013
4H4E
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BU of 4h4e by Molmil
IspH in complex with (E)-4-mercapto-3-methylbut-2-enyl diphosphate
Descriptor: (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M.
Deposit date:2012-09-17
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
Angew.Chem.Int.Ed.Engl., 52, 2013
3SZU
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BU of 3szu by Molmil
IspH:HMBPP complex structure of E126Q mutant
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER
Authors:Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
Deposit date:2011-07-19
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
3T0F
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BU of 3t0f by Molmil
IspH:HMBPP (substrate) structure of the E126D mutant
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER
Authors:Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
Deposit date:2011-07-20
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
3T0G
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BU of 3t0g by Molmil
IspH:HMBPP (substrate) structure of the T167C mutant
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER
Authors:Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
Deposit date:2011-07-20
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
3SZL
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BU of 3szl by Molmil
IspH:Ligand Mutants - wt 70sec
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
Deposit date:2011-07-19
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
3SZO
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BU of 3szo by Molmil
IspH:HMBPP complex after 3 minutes X-ray pre-exposure
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
Deposit date:2011-07-19
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
4MUY
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BU of 4muy by Molmil
IspH in complex with pyridin-4-ylmethyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-4-ylmethyl trihydrogen diphosphate
Authors:Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
Deposit date:2013-09-23
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
4MV0
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BU of 4mv0 by Molmil
IspH in complex with pyridin-2-ylmethyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-2-ylmethyl trihydrogen diphosphate
Authors:Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
Deposit date:2013-09-23
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
4MV5
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BU of 4mv5 by Molmil
IspH in complex with 6-chloropyridin-3-ylmethyl diphosphate
Descriptor: (6-chloropyridin-3-yl)methyl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER
Authors:Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
Deposit date:2013-09-23
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
4MUX
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BU of 4mux by Molmil
IspH in complex with pyridin-3-ylmethyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate
Authors:Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
Deposit date:2013-09-23
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
3UTD
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BU of 3utd by Molmil
Ec_IspH in complex with 4-oxopentyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-25
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV7
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BU of 3uv7 by Molmil
Ec_IspH in complex with buta-2,3-dienyl diphosphate (1300)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, buta-2,3-dien-1-yl trihydrogen diphosphate
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-29
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV3
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BU of 3uv3 by Molmil
Ec_IspH in complex with but-2-ynyl diphosphate (1086)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, but-2-yn-1-yl trihydrogen diphosphate
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-29
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3URK
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BU of 3urk by Molmil
IspH in complex with propynyl diphosphate (1061)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-22
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UTC
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BU of 3utc by Molmil
Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate
Descriptor: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-25
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV6
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BU of 3uv6 by Molmil
Ec_IspH in complex with 4-hydroxybutyl diphosphate (1301)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-hydroxybutyl trihydrogen diphosphate, IRON/SULFUR CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-29
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UWM
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BU of 3uwm by Molmil
Ec_IspH in complex with 4-oxobutyl diphosphate (1302)
Descriptor: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ...
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-12-02
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
4TWV
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BU of 4twv by Molmil
Horse heart myoglobin mutant (K45E/K63E/K96E) with Zn-deuteroporphyrin IX
Descriptor: Myoglobin, Zinc (II) Deuteroporphyrin IX
Authors:Span, I, Rosenzweig, A.C.
Deposit date:2014-07-02
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Charge-Disproportionation Symmetry Breaking Creates a Heterodimeric Myoglobin Complex with Enhanced Affinity and Rapid Intracomplex Electron Transfer.
J.Am.Chem.Soc., 138, 2016
4TWU
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BU of 4twu by Molmil
Horse heart myoglobin mutant (D44K/D60K/E85K) with Zn-deuteroporphyrin IX
Descriptor: Myoglobin, SULFATE ION, Zinc (II) Deuteroporphyrin IX
Authors:Span, I, Rosenzweig, A.C.
Deposit date:2014-07-02
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Charge-Disproportionation Symmetry Breaking Creates a Heterodimeric Myoglobin Complex with Enhanced Affinity and Rapid Intracomplex Electron Transfer.
J.Am.Chem.Soc., 138, 2016
4NS2
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BU of 4ns2 by Molmil
Crystal structure of Horse heart ferric myoglobin; D44K/D60K/E85K mutant
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Span, I, Rosenzweig, A.C.
Deposit date:2013-11-27
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Charge-Disproportionation Symmetry Breaking Creates a Heterodimeric Myoglobin Complex with Enhanced Affinity and Rapid Intracomplex Electron Transfer.
J.Am.Chem.Soc., 138, 2016
5C91
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BU of 5c91 by Molmil
NEDD4 HECT with covalently bound indole-based inhibitor
Descriptor: E3 ubiquitin-protein ligase NEDD4, methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate
Authors:Span, I, Smith, A.T, Kathman, S, Statsyuk, A.V, Rosenzweig, A.C.
Deposit date:2015-06-26
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism.
J. Am. Chem. Soc., 137, 2015
8BJ7
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BU of 8bj7 by Molmil
Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Hinact-like state
Descriptor: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ...
Authors:Bikbaev, K, Span, I.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases.
Chem Sci, 14, 2023
8BJ8
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BU of 8bj8 by Molmil
Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Htrans-like state
Descriptor: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ...
Authors:Bikbaev, K, Span, I.
Deposit date:2022-11-03
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases
Chem Sci, 14, 2023

 

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