1DQ8
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COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG AND COA
Descriptor:PROTEIN (HMG-COA REDUCTASE), COENZYME A, 3-HYDROXY-3-METHYL-GLUTARIC ACID, ...
Authors:Istvan, E.S., Palnitkar, M., Buchanan, S.K., Deisenhofer, J.
Deposit date:1999-12-30
Release date:2000-03-08
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis.
EMBO J., 19, 2000
1DQ9
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COMPLEX OF CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG-COA
Descriptor:PROTEIN (HMG-COA REDUCTASE), 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A
Authors:Istvan, E.S., Palnitkar, M., Buchanan, S.K., Deisenhofer, J.
Deposit date:1999-12-30
Release date:2000-03-08
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis.
EMBO J., 19, 2000
1DQA
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COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG, COA, AND NADP+
Descriptor:PROTEIN (HMG-COA REDUCTASE), COENZYME A, 3-HYDROXY-3-METHYL-GLUTARIC ACID, ...
Authors:Istvan, E.S., Palnitkar, M., Buchanan, S.K., Deisenhofer, J.
Deposit date:1999-12-30
Release date:2000-03-08
Last modified:2018-03-14
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
1HW8
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COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH COMPACTIN (ALSO KNOWN AS MEVASTATIN)
Descriptor:HMG-COA REDUCTASE, (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]heptanoic acid, ADENOSINE-5'-DIPHOSPHATE
Authors:Istvan, E.S., Deisenhofer, J.
Deposit date:2001-01-09
Release date:2001-05-11
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
1HW9
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COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH SIMVASTATIN
Descriptor:HMG-COA REDUCTASE, ADENOSINE-5'-DIPHOSPHATE, Simvastatin acid
Authors:Istvan, E.S., Deisenhofer, J.
Deposit date:2001-01-09
Release date:2001-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
1HWI
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COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH FLUVASTATIN
Descriptor:HMG-COA REDUCTASE, (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid, ADENOSINE-5'-DIPHOSPHATE
Authors:Istvan, E.S., Deisenhofer, J.
Deposit date:2001-01-09
Release date:2001-05-11
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
1HWJ
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COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH CERIVASTATIN
Descriptor:HMG-COA REDUCTASE, ADENOSINE-5'-DIPHOSPHATE, 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
Authors:Istvan, E.S., Deisenhofer, J.
Deposit date:2001-01-09
Release date:2001-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
1HWK
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COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH ATORVASTATIN
Descriptor:HMG-COA REDUCTASE, ADENOSINE-5'-DIPHOSPHATE, 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
Authors:Istvan, E.S., Deisenhofer, J.
Deposit date:2001-01-09
Release date:2001-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
1HWL
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COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH ROSUVASTATIN (FORMALLY KNOWN AS ZD4522)
Descriptor:HMG-COA REDUCTASE, ADENOSINE-5'-DIPHOSPHATE, 7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID
Authors:Istvan, E.S., Deisenhofer, J.
Deposit date:2001-01-09
Release date:2001-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
1QAX
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TERNARY COMPLEX OF PSEUDOMONAS MEVALONII HMG-COA REDUCTASE WITH HMG-COA AND NAD+
Descriptor:PROTEIN (3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE), 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tabernero, L., Bochar, D.A., Rodwell, V.W., Stauffacher, C.V.
Deposit date:1999-04-06
Release date:1999-06-18
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate-induced closure of the flap domain in the ternary complex structures provides insights into the mechanism of catalysis by 3-hydroxy-3-methylglutaryl-CoA reductase.
Proc.Natl.Acad.Sci.USA, 96, 1999
1QAY
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TERNARY COMPLEX OF PSEUDOMONAS MEVALONII HMG-COA REDUCTASE WITH MEVALONATE AND NAD+
Descriptor:PROTEIN (3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE), (R)-MEVALONATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tabernero, L., Bochar, D.A., Rodwell, V.W., Stauffacher, C.V.
Deposit date:1999-04-07
Release date:1999-06-18
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate-induced closure of the flap domain in the ternary complex structures provides insights into the mechanism of catalysis by 3-hydroxy-3-methylglutaryl-CoA reductase.
Proc.Natl.Acad.Sci.USA, 96, 1999
1R31
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HMG-COA REDUCTASE FROM PSEUDOMONAS MEVALONII COMPLEXED WITH HMG-COA
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION, 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:2011-07-13
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
1R7I
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HMG-COA REDUCTASE FROM P. MEVALONII, NATIVE STRUCTURE AT 2.2 ANGSTROMS RESOLUTION.
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION, GLYCEROL
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:2011-07-13
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
1T02
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CRYSTAL STRUCTURE OF A STATIN BOUND TO CLASS II HMG-COA REDUCTASE
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, SULFATE ION
Authors:Tabernero, L., Rodwell, V.W., Stauffacher, C.
Deposit date:2004-04-07
Release date:2004-08-03
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a statin bound to a class II hydroxymethylglutaryl-CoA reductase.
J.Biol.Chem., 278, 2003
2Q1L
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DESIGN AND SYNTHESIS OF PYRROLE-BASED, HEPATOSELECTIVE HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
Authors:Pavlovsky, A., Pfefferkorn, J.A., Harris, M.S., Finzel, B.C.
Deposit date:2007-05-24
Release date:2007-07-17
Last modified:2017-10-18
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
2Q6B
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DESIGN AND SYNTHESIS OF NOVEL, CONFORMATIONALLY RESTRICTED HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION, (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
Authors:Pavlovsky, A., Pfefferkorn, J.A., Harris, M.S., Finzel, B.C.
Deposit date:2007-06-04
Release date:2007-07-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2Q6C
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DESIGN AND SYNTHESIS OF NOVEL, CONFORMATIONALLY RESTRICTED HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION, (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
Authors:Pavlovsky, A., Pfefferkorn, J.A., Harris, M.S., Finzel, B.C.
Deposit date:2007-06-04
Release date:2007-07-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2R4F
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SUBSTITUTED PYRAZOLES AS HEPATSELECTIVE HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION, (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid
Authors:Pavlovsky, A., Pfefferkorn, J.A., Harris, M.S., Finzel, B.C.
Deposit date:2007-08-31
Release date:2008-04-29
Last modified:2011-07-13
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
3BGL
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HEPATOSELECTIVITY OF STATINS: DESIGN AND SYNTHESIS OF 4-SULFAMOYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Authors:Finzel, B.C., Pavlovsky, A., Park, W.K.C.
Deposit date:2007-11-26
Release date:2008-01-29
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.225 Å)
Cite:Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CCT
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THERMODYNAMIC AND STRUCTURE GUIDED DESIGN OF STATIN HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Authors:Pavlovsky, A., Sarver, R.W., Harris, M.S., Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CCW
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THERMODYNAMIC AND STRUCTURE GUIDED DESIGN OF STATIN HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, (3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
Authors:Pavlovsky, A., Sarver, R.W., Harris, M.S., Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2017-10-25
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
3CCZ
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THERMODYNAMIC AND STRUCTURE GUIDED DESIGN OF STATIN HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION, (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
Authors:Pavlovsky, A., Sarver, R.W., Harris, M.S., Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2017-10-25
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
3CD0
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THERMODYNAMIC AND STRUCTURE GUIDED DESIGN OF STATIN HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, (3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid
Authors:Pavlovsky, A., Sarver, R.W., Harris, M.S., Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CD5
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THERMODYNAMIC AND STRUCTURE GUIDED DESIGN OF STATIN HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION, (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid
Authors:Pavlovsky, A., Sarver, R.W., Harris, M.S., Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CD7
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THERMODYNAMIC AND STRUCTURE GUIDED DESIGN OF STATIN HMG-COA REDUCTASE INHIBITORS
Descriptor:3-hydroxy-3-methylglutaryl-coenzyme A reductase, (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
Authors:Pavlovsky, A., Sarver, R.W., Harris, M.S., Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2017-10-25
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
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