Author results

3SZL
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ISPH:LIGAND MUTANTS - WT 70SEC
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Authors:Span, I., Graewert, T., Bacher, A., Eisenreich, W., Groll, M.
Deposit date:2011-07-19
Release date:2011-11-30
Last modified:2012-02-15
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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ISPH:HMBPP COMPLEX AFTER 3 MINUTES X-RAY PRE-EXPOSURE
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Authors:Span, I., Graewert, T., Bacher, A., Eisenreich, W., Groll, M.
Deposit date:2011-07-19
Release date:2011-11-30
Last modified:2012-02-15
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
3SZU
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ISPH:HMBPP COMPLEX STRUCTURE OF E126Q MUTANT
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Authors:Span, I., Graewert, T., Bacher, A., Eisenreich, W., Groll, M.
Deposit date:2011-07-19
Release date:2011-11-30
Last modified:2012-02-15
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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ISPH:HMBPP (SUBSTRATE) STRUCTURE OF THE E126D MUTANT
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Authors:Span, I., Graewert, T., Bacher, A., Eisenreich, W., Groll, M.
Deposit date:2011-07-20
Release date:2011-11-30
Last modified:2012-02-15
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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ISPH:HMBPP (SUBSTRATE) STRUCTURE OF THE T167C MUTANT
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Authors:Span, I., Graewert, T., Bacher, A., Eisenreich, W., Groll, M.
Deposit date:2011-07-20
Release date:2011-11-30
Last modified:2012-02-15
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
3URK
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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:2012-09-19
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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EC_ISPH IN COMPLEX WITH (E)-4-HYDROXYBUT-3-ENYL DIPHOSPHATE
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate
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:2012-09-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UTD
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EC_ISPH IN COMPLEX WITH 4-OXOPENTYL DIPHOSPHATE
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, 4-oxopentyl trihydrogen diphosphate
Authors:Span, I., Wang, K., Wang, W., Zhang, Y., Bacher, A., Eisenreich, W., Schulz, C., Oldfield, E., Groll, M.
Deposit date:2011-11-25
Release date:2012-09-05
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV3
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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:2012-09-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV6
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EC_ISPH IN COMPLEX WITH 4-HYDROXYBUTYL DIPHOSPHATE (1301)
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, 4-hydroxybutyl 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:2012-09-19
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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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:2012-09-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UWM
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EC_ISPH IN COMPLEX WITH 4-OXOBUTYL DIPHOSPHATE (1302)
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, 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:2012-09-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
4H4C
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ISPH IN COMPLEX WITH (E)-4-FLUORO-3-METHYLBUT-2-ENYL DIPHOSPHATE
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, (2E)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate
Authors:Span, I., Eisenreich, W., Jauch, J., Bacher, A., Groll, M.
Deposit date:2012-09-17
Release date:2013-01-23
Last modified:2013-02-20
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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ISPH IN COMPLEX WITH (E)-4-AMINO-3-METHYLBUT-2-ENYL DIPHOSPHATE
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate
Authors:Span, I., Eisenreich, W., Jauch, J., Bacher, A., Groll, M.
Deposit date:2012-09-17
Release date:2013-01-23
Last modified:2013-02-20
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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ISPH IN COMPLEX WITH (E)-4-MERCAPTO-3-METHYLBUT-2-ENYL DIPHOSPHATE
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate
Authors:Span, I., Eisenreich, W., Jauch, J., Bacher, A., Groll, M.
Deposit date:2012-09-17
Release date:2013-01-23
Last modified:2013-02-20
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
4MUX
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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:2014-07-09
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
4MUY
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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:2014-07-09
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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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:2014-07-09
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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ISPH IN COMPLEX WITH 6-CHLOROPYRIDIN-3-YLMETHYL DIPHOSPHATE
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, (6-chloropyridin-3-yl)methyl trihydrogen diphosphate
Authors:Span, I., Wang, K., Song, Y., Eisenreich, W., Bacher, A., Oldfield, E., Groll, M.
Deposit date:2013-09-23
Release date:2014-06-18
Last modified:2014-07-09
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
4NS2
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CRYSTAL STRUCTURE OF HORSE HEART FERRIC MYOGLOBIN; D44K/D60K/E85K MUTANT
Descriptor:Myoglobin, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Span, I., Rosenzweig, A.C.
Deposit date:2013-11-27
Release date:2014-12-24
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Crystal structure of Horse heart ferric myoglobin; D44K/D60K/E85K mutant
To be Published
4TWU
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HORSE HEART MYOGLOBIN MUTANT (D44K/D60K/E85K) WITH ZN-DEUTEROPORPHYRIN IX
Descriptor:Myoglobin, Zinc (II) Deuteroporphyrin IX, SULFATE ION
Authors:Span, I., Rosenzweig, A.C.
Deposit date:2014-07-02
Release date:2016-05-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Horse heart myoglobin mutant (D44K/D60K/E85K) with Zn-deuteroporphyrin IX
To Be Published
4TWV
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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:2017-11-22
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Horse heart myoglobin mutant (K45E/K63E/K96E) with Zn-deuteroporphyrin IX
To Be Published
5C91
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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:2018-04-25
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
3KE8
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CRYSTAL STRUCTURE OF ISPH:HMBPP-COMPLEX
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, 4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE
Authors:Groll, M., Graewert, T., Span, I., Eisenreich, W., Bacher, A.
Deposit date:2009-10-24
Release date:2010-01-12
Last modified:2013-12-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KE9
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CRYSTAL STRUCTURE OF ISPH:INTERMEDIATE-COMPLEX
Descriptor:4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE
Authors:Groll, M., Graewert, T., Span, I., Eisenreich, W., Bacher, A.
Deposit date:2009-10-24
Release date:2010-01-12
Last modified:2013-12-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
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