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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
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
6EEV
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BU of 6eev by Molmil
Structure of class II HMG-CoA reductase from Delftia acidovorans with mevalonate bound
Descriptor: (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl coenzyme A reductase, GLYCEROL, ...
Authors:Ragwan, E.R, Arai, E, Kung, Y.
Deposit date:2018-08-15
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:New Crystallographic Snapshots of Large Domain Movements in Bacterial 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase.
Biochemistry, 57, 2018
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
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
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
2R4F
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BU of 2r4f by Molmil
Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors
Descriptor: (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
Deposit date:2007-08-31
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.
J.Med.Chem., 51, 2008
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
3CCZ
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BU of 3ccz by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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
7ULI
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BU of 7uli by Molmil
Apo HMG-CoA Reductase from Arabidopsis thaliana (HMG1)
Descriptor: 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1
Authors:Haywood, J, Bond, C.S.
Deposit date:2022-04-05
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
6EEU
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BU of 6eeu by Molmil
Structure of class II HMG-CoA reductase from Delftia acidovorans
Descriptor: 1,2-ETHANEDIOL, 3-hydroxy-3-methylglutaryl coenzyme A reductase, SULFATE ION
Authors:Ragwan, E.R, Arai, E, Kung, Y.
Deposit date:2018-08-15
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:New Crystallographic Snapshots of Large Domain Movements in Bacterial 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase.
Biochemistry, 57, 2018
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
1DQA
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BU of 1dqa by Molmil
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG, COA, AND NADP+
Descriptor: 3-HYDROXY-3-METHYL-GLUTARIC ACID, COENZYME A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Istvan, E.S, Palnitkar, M, Buchanan, S.K, Deisenhofer, J.
Deposit date:1999-12-30
Release date:2000-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis.
EMBO J., 19, 2000
5WPJ
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BU of 5wpj by Molmil
Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to NADPH in open conformations
Descriptor: 3-hydroxy-3-methylglutaryl coenzyme A reductase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Miller, B.R, Kung, Y.
Deposit date:2017-08-04
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Features and Domain Movements Controlling Substrate Binding and Cofactor Specificity in Class II HMG-CoA Reductase.
Biochemistry, 57, 2018
2Q6C
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BU of 2q6c by Molmil
Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors
Descriptor: (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
Deposit date:2007-06-04
Release date:2007-07-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2Q6B
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BU of 2q6b by Molmil
Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors
Descriptor: (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
Deposit date:2007-06-04
Release date:2007-07-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3CD7
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BU of 3cd7 by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
2Q1L
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BU of 2q1l by Molmil
Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors
Descriptor: (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
Deposit date:2007-05-24
Release date:2007-07-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3CDA
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BU of 3cda by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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
1HW8
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BU of 1hw8 by Molmil
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH COMPACTIN (ALSO KNOWN AS MEVASTATIN)
Descriptor: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid, ADENOSINE-5'-DIPHOSPHATE, HMG-COA REDUCTASE
Authors:Istvan, E.S, Deisenhofer, J.
Deposit date:2001-01-09
Release date:2001-05-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
1HWL
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BU of 1hwl by Molmil
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH ROSUVASTATIN (FORMALLY KNOWN AS ZD4522)
Descriptor: 7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, HMG-COA REDUCTASE
Authors:Istvan, E.S, Deisenhofer, J.
Deposit date:2001-01-09
Release date:2001-05-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
3CCW
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BU of 3ccw by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008

 

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