Author results

1Z4U
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HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE COMPLEX WITH INHIBITOR PHA-00799585
Descriptor:HCV NS5B POLYMERASE, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Pfefferkorn, J.A., Greene, M., Nugent, R., Gross, R.J., Mitchell, M.A., Finzel, B.C., Harris, M.S., Wells, P.A., Shelly, J.A., Anstadt, R.
Deposit date:2005-03-16
Release date:2005-06-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid
Bioorg.Med.Chem.Lett., 15, 2005
1HSK
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CRYSTAL STRUCTURE OF S. AUREUS MURB
Descriptor:UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Benson, T.E., Harris, M.S., Choi, G.H., Cialdella, J.I., Herberg, J.T., Martin Jr., J.P., Baldwin, E.T.
Deposit date:2000-12-27
Release date:2001-03-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural variation for MurB: X-ray crystal structure of Staphylococcus aureus UDP-N-acetylenolpyruvylglucosamine reductase (MurB).
Biochemistry, 40, 2001
1LMH
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CRYSTAL STRUCTURE OF S. AUREUS PEPTIDE DEFORMYLASE
Descriptor:PROTEIN (S.aureus peptide deformylase), ZINC ION
Authors:Baldwin, E.T., Harris, M.S.
Deposit date:2002-05-01
Release date:2002-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Type II peptide deformylase from Staphylococcus aureus
J.Biol.Chem., 277, 2002
1YVF
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HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE COMPLEX WITH INHIBITOR PHA-00729145
Descriptor:HCV NS5B POLYMERASE, PHOSPHATE ION, CHLORIDE ION, ...
Authors:Pfefferkorn, J.A., Greene, M.L., Nugent, R.A., Gross, R.J., Mitchell, M.A., Finzel, B.C., Harris, M.S., Wells, P.A., Shelly, J.A., Anstadt, R.A., Kilkuskie, R.E., Kopta, L.A., Schwende, F.J.
Deposit date:2005-02-15
Release date:2005-04-19
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.
Bioorg.Med.Chem.Lett., 15, 2005
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
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
3CDA
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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-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-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 (2.07 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CDB
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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-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-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 (2.3 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3KJF
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CASPASE 3 BOUND TO A COVALENT INHIBITOR
Descriptor:Caspase-3, (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid
Authors:Kamtekar, S., Watt, W., Finzel, B.C., Harris, M.S., Blinn, J., Wang, Z., Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
3KJN
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CASPASE 8 BOUND TO A COVALENT INHIBITOR
Descriptor:Caspase-8, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
Authors:Kamtekar, S., Watt, W., Finzel, B.C., Harris, M.S., Blinn, J., Wang, Z., Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
3KJQ
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CASPASE 8 WITH COVALENT INHIBITOR
Descriptor:Caspase-8, (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
Authors:Kamtekar, S., Watt, W., Finzel, B.C., Harris, M.S., Blinn, J., Wang, Z., Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
4QFG
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STRUCTURE OF AMPK IN COMPLEX WITH STAUROSPORINE INHIBITOR AND IN THE ABSENCE OF A SYNTHETIC ACTIVATOR
Descriptor:5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Calabrese, M.F., Kurumbail, R.G.
Deposit date:2014-05-20
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
4QFR
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STRUCTURE OF AMPK IN COMPLEX WITH CL-A769662 ACTIVATOR AND STAUROSPORINE INHIBITOR
Descriptor:5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Calabrese, M.F., Kurumbail, R.G.
Deposit date:2014-05-21
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
4QFS
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STRUCTURE OF AMPK IN COMPLEX WITH BR2-A769662CORE ACTIVATOR AND STAUROSPORINE INHIBITOR
Descriptor:5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Calabrese, M.F., Kurumbail, R.G.
Deposit date:2014-05-21
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014