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1K74
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THE 2.3 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN PPARGAMMA AND RXRALPHA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH GW409544 AND 9-CIS RETINOIC ACID AND CO-ACTIVATOR PEPTIDES.
Descriptor:Retinoic acid receptor RXR-alpha, Peroxisome proliferator activated receptor gamma, steroid receptor coactivator, ...
Authors:Xu, H.E., Lambert, M.H., Montana, V.G., Moore, L.B., Collins, J.L., Oplinger, J.A., Kliewer, S.A., Gampe Jr., R.T., McKee, D.D., Moore, J.T., Willson, T.M.
Deposit date:2001-10-18
Release date:2001-12-05
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K7L
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THE 2.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HUMAN PPARALPHA LIGAND BINDING DOMAIN BOUND WITH GW409544 AND A CO-ACTIVATOR PEPTIDE.
Descriptor:Peroxisome proliferator activated receptor alpha, steroid receptor coactivator, 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, ...
Authors:Xu, H.E., Lambert, M.H., Montana, V.G., Moore, L.B., Collins, J.L., Oplinger, J.A., Kliewer, S.A., Gampe Jr., R.T., McKee, D.D., Moore, J.T., Willson, T.M.
Deposit date:2001-10-19
Release date:2001-12-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proc.Natl.Acad.Sci.USA, 98, 2001
1NDE
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ESTROGEN RECEPTOR BETA WITH SELECTIVE TRIAZINE MODULATOR
Descriptor:Estrogen receptor beta, 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL
Authors:Henke, B.R., Consler, T.G., Go, N., Hale, R.L., Hohman, D.R., Jones, S.A., Lu, A.T., Moore, L.B., Moore, J.T., Orband-Miller, L.A., Robinett, R.G., Shearin, J., Spearing, P.K., Stewart, E.L., Turnbull, P.S., Weaver, S.L., Williams, S.P., Wisely, G.B., Lambert, M.H.
Deposit date:2002-12-09
Release date:2002-12-18
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta
J.Med.Chem., 45, 2002
1XV9
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CRYSTAL STRUCTURE OF CAR/RXR HETERODIMER BOUND WITH SRC1 PEPTIDE, FATTY ACID, AND 5B-PREGNANE-3,20-DIONE.
Descriptor:Retinoic acid receptor RXR-alpha, Orphan nuclear receptor NR1I3, nuclear receptor coactivator 1 isoform 1, ...
Authors:Xu, R.X., Lambert, M.H., Wisely, B.B., Warren, E.N., Weinert, E.E., Waitt, G.M., Williams, J.D., Moore, L.B., Willson, T.M., Moore, J.T.
Deposit date:2004-10-27
Release date:2004-12-28
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
1XVP
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CRYSTAL STRUCTURE OF CAR/RXR HETERODIMER BOUND WITH SRC1 PEPTIDE, FATTY ACID AND CITCO
Descriptor:Retinoic acid receptor RXR-alpha, Orphan nuclear receptor NR1I3, nuclear receptor coactivator 1 isoform 1, ...
Authors:Xu, R.X., Lambert, M.H., Wisely, B.B., Warren, E.N., Weinert, E.E., Waitt, G.M., Williams, J.D., Moore, L.B., Willson, T.M., Moore, J.T.
Deposit date:2004-10-28
Release date:2004-12-28
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
1M13
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CRYSTAL STRUCTURE OF THE HUMAN PREGANE X RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH HYPERFORIN, A CONSTITUENT OF ST. JOHN'S WORT
Descriptor:Orphan Nuclear Receptor PXR, 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
Authors:Watkins, R.E., Maglich, J.M., Moore, L.B., Wisely, G.B., Noble, S.M., Davis-Searles, P.R., Lambert, M.H., Kliewer, S.A., Redinbo, M.R.
Deposit date:2002-06-17
Release date:2003-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:2.1 A Crystal Structure of Human PXR in Complex with the St. John's Wort Compound Hyperforin
Biochemistry, 42, 2003
1ILG
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CRYSTAL STRUCTURE OF APO HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN
Descriptor:ORPHAN NUCLEAR RECEPTOR PXR
Authors:Watkins, R.E., Redinbo, M.R.
Deposit date:2001-05-08
Release date:2001-06-27
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
1ILH
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CRYSTAL STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TO SR12813
Descriptor:ORPHAN NUCLEAR RECEPTOR PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
Authors:Watkins, R.E., Redinbo, M.R.
Deposit date:2001-05-08
Release date:2001-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
1SKX
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STRUCTURAL DISORDER IN THE COMPLEX OF HUMAN PXR AND THE MACROLIDE ANTIBIOTIC RIFAMPICIN
Descriptor:Orphan nuclear receptor PXR, RIFAMPICIN
Authors:Chrencik, J.E., Xue, Y., Orans, J.O., Redinbo, M.R.
Deposit date:2004-03-05
Release date:2005-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
4PRG
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0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL
Descriptor:PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA), (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE
Authors:Milburn, M.V.
Deposit date:1999-05-07
Release date:1999-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation.
Proc.Natl.Acad.Sci.USA, 96, 1999
3B3K
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA AND THE FULL AGONIST LT175
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R., Mazza, F., Loiodice, F., Fracchiolla, G., Crestani, M., Godio, C.
Deposit date:2007-10-22
Release date:2008-10-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
3CDP
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CRYSTAL STRUCTURE OF PPAR-GAMMA LBD COMPLEXED WITH A PARTIAL AGONIST, ANALOGUE OF CLOFIBRIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-02-27
Release date:2009-01-13
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists
Bioorg.Med.Chem., 20, 2012
3CDS
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPAR-GAMMA AND THE AGONIST LT248 (CLOFIBRIC ACID ANALOGUE)
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-02-27
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
2I4J
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA AND THE AGONIST LT160 (UREIDOFIBRATE DERIVATIVE)
Descriptor:Peroxisome proliferator-activated receptor gamma, (2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
Authors:Pochetti, G., Mazza, F.
Deposit date:2006-08-22
Release date:2007-04-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007
2I4P
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA AND THE PARTIAL AGONIST LT127 (UREIDOFIBRATE DERIVATIVE). STRUCTURE OBTAINED FROM CRYSTALS OF THE APO-FORM SOAKED FOR 30 DAYS.
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
Authors:Pochetti, G., Mazza, F.
Deposit date:2006-08-22
Release date:2007-04-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands.
J.Biol.Chem., 282, 2007
2I4Z
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA AND THE PARTIAL AGONIST LT127 (UREIDOFIBRATE DERIVATIVE). THIS STRUCTURE HAS BEEN OBTAINED FROM CRYSTALS SOAKED FOR 6 HOURS.
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
Authors:Pochetti, G., Mazza, F.
Deposit date:2006-08-23
Release date:2007-04-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007