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1YSL
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BU of 1ysl by Molmil
Crystal structure of HMG-CoA synthase from Enterococcus faecalis with AcetoAcetyl-CoA ligand.
Descriptor: ACETOACETIC ACID, COENZYME A, GLYCEROL, ...
Authors:Steussy, C.N, Vartia, A.A, Burgner II, J.W, Sutherlin, A, Rodwell, V.W, Stauffacher, C.V.
Deposit date:2005-02-08
Release date:2005-11-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystal Structures of HMG-CoA Synthase from Enterococcus faecalis and a Complex with Its Second Substrate/Inhibitor Acetoacetyl-CoA.
Biochemistry, 44, 2005
2HDB
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BU of 2hdb by Molmil
HMG-CoA synthase from Enterococcus faecalis. Mutation alanine 110 to glycine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HMG-CoA synthase, SULFATE ION
Authors:Steussy, C.N, Sutherlin, A, Stauffacher, C.V.
Deposit date:2006-06-20
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A structural limitation on enzyme activity: the case of HMG-CoA synthase.
Biochemistry, 45, 2006
1JM6
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BU of 1jm6 by Molmil
Pyruvate dehydrogenase kinase, isozyme 2, containing ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pyruvate dehydrogenase kinase, ...
Authors:Steussy, C.N, Popov, K.M, Bowker-Kinley, M.M, Sloan, R.B, Harris, R.A, Hamilton, J.A.
Deposit date:2001-07-17
Release date:2001-10-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of pyruvate dehydrogenase kinase. Novel folding pattern for a serine protein kinase.
J.Biol.Chem., 276, 2001
1X9E
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BU of 1x9e by Molmil
Crystal structure of HMG-CoA synthase from Enterococcus faecalis
Descriptor: HMG-CoA synthase, SULFATE ION
Authors:Steussy, C.N, Vartia, A.A, Burgner II, J.W, Sutherlin, A, Rodwell, V.W, Stauffacher, C.V.
Deposit date:2004-08-20
Release date:2005-11-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Crystal Structures of HMG-CoA Synthase from Enterococcus faecalis and a Complex with Its Second Substrate/Inhibitor Acetoacetyl-CoA
Biochemistry, 44, 2005
4I56
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BU of 4i56 by Molmil
HMG-CoA reductase from pseudomonas mevalonii complexed with dithio-HMG-coa
Descriptor: (3S,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ...
Authors:Steussy, C.N, Stauffacher, C.V, Schmidt, T, Crichelow, C.J, Rodwell, V.W, Wrensford, L.V, Min, J, Burgner II, J.W.
Deposit date:2012-11-28
Release date:2013-07-17
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
4I64
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BU of 4i64 by Molmil
3-hydroxy-3-methylglutaryl Coenzyme A reductase from Pseudomonas mevalonii, a high resolution native structure
Descriptor: 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J.
Deposit date:2012-11-29
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
4I6A
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BU of 4i6a by Molmil
3-hydroxy-3-methylglutaryl (HMG) Coenzyme A reductase from Pseudomonas mevalonii complexed with HMG-CoA
Descriptor: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J.
Deposit date:2012-11-29
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
4I6W
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BU of 4i6w by Molmil
3-hydroxy-3-methylglutaryl (HMG) Coenzyme-A reductase complexed with thiomevalonate
Descriptor: (3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ...
Authors:Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J.
Deposit date:2012-11-30
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
4I6Y
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BU of 4i6y by Molmil
3-hydroxy-3-methyl (HMG) Coenzyme A Reductase bound to R-Mevalonate
Descriptor: (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ...
Authors:Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J.
Deposit date:2012-11-30
Release date:2013-07-17
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
4I4B
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BU of 4i4b by Molmil
HMG-CoA Reductase from Pseudomonas mevalonii complexed with NAD and intermediate hemiacetal form of HMG-CoA
Descriptor: (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, (3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, ...
Authors:Stauffacher, C.V, Steussy, C.N, Critchelow, C.J, Schmidt, T, Min, J, Wrensford, L.V, Burgner, J.W, Rodwell, V.W.
Deposit date:2012-11-27
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
8GDN
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BU of 8gdn by Molmil
Structure of PmHMGR bound to mevalonate, CoA and NAD.
Descriptor: (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, COENZYME A, ...
Authors:Purohit, V, Steussy, C.N, Stauffacher, C.V.
Deposit date:2023-03-06
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Biophys.J., 123, 2024
5JNP
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BU of 5jnp by Molmil
Crystal structure of a rice (Oryza Sativa) cellulose synthase plant conserved region (P-CR)
Descriptor: CITRATE ANION, GLYCEROL, PHOSPHATE ION, ...
Authors:Rushton, P.S, Olek, A.T, Makowski, L, Badger, J, Steussy, C.N, Carpita, N.C, Stauffacher, C.V.
Deposit date:2016-04-30
Release date:2016-12-28
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Rice Cellulose SynthaseA8 Plant-Conserved Region Is a Coiled-Coil at the Catalytic Core Entrance.
Plant Physiol., 173, 2017
2PNR
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BU of 2pnr by Molmil
Crystal Structure of the asymmetric Pdk3-l2 Complex
Descriptor: DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 3
Authors:Vassylyev, D.G, Steussy, C.N, Devedjiev, Y.
Deposit date:2007-04-25
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of an Asymmetric complex of Pyruvate Dehydrogenase Kinase 3 with Lipoyl domain 2 and its Biological Implications
J.Mol.Biol., 370, 2007
7M1Z
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BU of 7m1z by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: (R)-MEVALONATE, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ACETATE ION, ...
Authors:Bose, S, Steussy, C.N, Stauffacher, C.V.
Deposit date:2021-03-15
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor
Nat Commun, 2023
7M3H
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BU of 7m3h by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid, CALCIUM ION, Hydroxymethylglutaryl-CoA reductase, ...
Authors:Bose, S, Steussy, C.N, Stauffacher, C.V.
Deposit date:2021-03-18
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
To Be Published
7M66
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BU of 7m66 by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Bose, S, Steussy, C.N.
Deposit date:2021-03-25
Release date:2022-09-28
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor.
Commun Biol, 6, 2023
1R7I
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BU of 1r7i by Molmil
HMG-CoA Reductase from P. mevalonii, native structure at 2.2 angstroms resolution.
Descriptor: 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, SULFATE ION
Authors:Watson, J.M, Steussy, C.N, Burgner, J.W, Lawrence, C.M, Tabernero, L, Rodwell, V.W, Stauffacher, C.V.
Deposit date:2003-10-21
Release date:2003-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Investigations of the Basis for Stereoselectivity from the Binary Complex of HMG-COA Reductase.
To be Published
1R31
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BU of 1r31 by Molmil
HMG-CoA reductase from Pseudomonas mevalonii complexed with HMG-CoA
Descriptor: (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, COENZYME A, ...
Authors:Watson, J.M, Steussy, C.N, Burgner, J.W, Lawrence, C.M, Tabernero, L, Rodwell, V.W, Stauffacher, C.V.
Deposit date:2003-09-30
Release date:2003-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Investigations of the Basis for Stereoselectivity from the Binary Complex of HMG-CoA Reductase.
To be Published
8VLQ
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BU of 8vlq by Molmil
Structure of PmHMGR bound to mevalonate, CoA and NAD 5 minutes after reaction initiation at pH 9
Descriptor: (R)-MEVALONATE, (R)-mevaldehyde, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Purohit, V, Steussy, C.N, Stauffacher, C.V.
Deposit date:2024-01-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Biophys.J., 123, 2024
8SZ6
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BU of 8sz6 by Molmil
PmHMGR bound to mevaldehyde and CoA
Descriptor: (3R)-3,5,5-trihydroxy-3-methylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, Mevaldyl-Coenzyme A, ...
Authors:Purohit, V, Stauffacher, C.V, Steussy, C.N.
Deposit date:2023-05-27
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Biophys.J., 123, 2024
5V2L
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BU of 5v2l by Molmil
Mevalonate diphosphate mediated ATP binding mechanism of the mevalonate diphosphate decarboxylase from Enterococcus faecalis
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Mevalonate diphosphate decarboxylase, PHOSPHATE ION
Authors:Stauffacher, C.V, Chen, C.-L.
Deposit date:2017-03-05
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mevalonate 5-diphosphate mediates ATP binding to the mevalonate diphosphate decarboxylase from the bacterial pathogen Enterococcus faecalis.
J. Biol. Chem., 292, 2017
5V2M
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BU of 5v2m by Molmil
Mevalonate diphosphate mediated ATP binding mechanism of the mevalonate diphosphate decarboxylase from Enterococcus faecalis
Descriptor: Mevalonate diphosphate decarboxylase, SULFATE ION
Authors:Stauffacher, C.V, Chen, C.-L.
Deposit date:2017-03-05
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:Mevalonate 5-diphosphate mediates ATP binding to the mevalonate diphosphate decarboxylase from the bacterial pathogen Enterococcus faecalis.
J. Biol. Chem., 292, 2017
6E2S
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BU of 6e2s by Molmil
apo form of MDDEF with buffer exchange
Descriptor: Mevalonate diphosphate decarboxylase, SULFATE ION
Authors:Stauffacher, C.V, Chen, C.-L.
Deposit date:2018-07-12
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Visualizing the enzyme mechanism of mevalonate diphosphate decarboxylase.
Nat Commun, 11, 2020
6E2T
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BU of 6e2t by Molmil
MDDEF in complex with MVAPP
Descriptor: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, Mevalonate diphosphate decarboxylase
Authors:Stauffacher, C.V, Chen, C.-L.
Deposit date:2018-07-12
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:Visualizing the enzyme mechanism of mevalonate diphosphate decarboxylase.
Nat Commun, 11, 2020
6E2U
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BU of 6e2u by Molmil
MDDEF in complex with MVAPP, AMPPCP and Magnesium
Descriptor: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, MAGNESIUM ION, Mevalonate diphosphate decarboxylase, ...
Authors:Stauffacher, C.V, Chen, C.-L.
Deposit date:2018-07-12
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Visualizing the enzyme mechanism of mevalonate diphosphate decarboxylase.
Nat Commun, 11, 2020

 

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