Author results

1GWX
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MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor:PROTEIN (PPAR-DELTA), 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID
Authors:Xu, H.E., Lambert, M.H., Montana, V.G., Park, D.J., Blanchard, S., Brown, P., Sternbach, D., Lehmann, J., Bruce, G.W., Willson, T.M., Kliewer, S.A., Milburn, M.V.
Deposit date:1999-03-17
Release date:2000-03-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
1KKQ
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CRYSTAL STRUCTURE OF THE HUMAN PPAR-ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH AN ANTAGONIST GW6471 AND A SMRT COREPRESSOR MOTIF
Descriptor:PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR, NUCLEAR RECEPTOR CO-REPRESSOR 2, N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE
Authors:Xu, H.E., Stanley, T.B., Montana, V.G., Lambert, M.H., Shearer, B.G., Cobb, J.E., McKee, D.D., Galardi, C.M., Nolte, R.T., Parks, D.J.
Deposit date:2001-12-10
Release date:2002-02-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha.
Nature, 415, 2002
1M2Z
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CRYSTAL STRUCTURE OF A DIMER COMPLEX OF THE HUMAN GLUCOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN BOUND TO DEXAMETHASONE AND A TIF2 COACTIVATOR MOTIF
Descriptor:glucocorticoid receptor, nuclear receptor coactivator 2, B-OCTYLGLUCOSIDE, ...
Authors:Bledsoe, R.B., Montana, V.G., Stanley, T.B., Delves, C.J., Apolito, C.J., Mckee, D.D., Consler, T.G., Parks, D.J., Stewart, E.L., Willson, T.M., Lambert, M.H., Moore, J.T., Pearce, K.H., Xu, H.E.
Deposit date:2002-06-26
Release date:2003-07-15
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Reveals a Novel Mode of Receptor Dimerization and Coactivator Recognition
Cell(Cambridge,Mass.), 110, 2002
1T4E
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STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH A BENZODIAZEPINE INHIBITOR
Descriptor:Ubiquitin-protein ligase E3 Mdm2, (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID
Authors:Grasberger, B.L., Schubert, C., Koblish, H.K., Carver, T.E., Franks, C.F., Zhao, S.Y., Lu, T., LaFrance, L.V., Parks, D.J.
Deposit date:2004-04-29
Release date:2005-02-08
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells
J.Med.Chem., 48, 2005
1T4F
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STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH AN OPTIMIZED P53 PEPTIDE
Descriptor:Ubiquitin-protein ligase E3 Mdm2, optimized p53 peptide, SULFATE ION
Authors:Grasberger, B.L., Schubert, C., Koblish, H.K., Carver, T.E., Franks, C.F., Zhao, S.Y., Lu, T., LaFrance, L.V., Parks, D.J.
Deposit date:2004-04-29
Release date:2005-02-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells
J.Med.Chem., 48, 2005
2GWX
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MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor:PROTEIN (PPAR-DELTA)
Authors:Xu, H.E., Lambert, M.H., Montana, V.G., Park, D.J., Blanchard, S., Brown, P., Sternbach, D., Lehmann, J., Bruce, G.W., Willson, T.M., Kliewer, S.A., Milburn, M.V.
Deposit date:1999-03-11
Release date:2000-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
3FC6
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HRXRALPHA & MLXRALPHA WITH AN INDOLE PHARMACOPHORE, SB786875
Descriptor:Retinoic acid receptor RXR-alpha, Nr1h3 protein, RETINOIC ACID, ...
Authors:Washburn, D.G., Hoang, T.H., Campobasso, N., Smallwood, A., Parks, D.J., Webb, C.L., Frank, K., Nord, M., Duraiswami, C., Evans, C., Jaye, M., Thompson, S.K.
Deposit date:2008-11-21
Release date:2009-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.063 Å)
Cite:Synthesis and SAR of potent LXR agonists containing an indole pharmacophore.
Bioorg.Med.Chem.Lett., 19, 2009
3GWX
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MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor:PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)), 5,8,11,14,17-EICOSAPENTAENOIC ACID
Authors:Xu, H.E., Lambert, M.H., Montana, V.G., Parks, D.J., Blanchard, S.G., Brown, P.J., Sternbach, D.D., Lehmann, J.M., Wisely, G.B., Willson, T.M., Kliewer, S.A., Milburn, M.V.
Deposit date:1999-04-26
Release date:2000-04-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
2ACL
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LIVER X-RECEPTOR ALPHA LIGAND BINDING DOMAIN WITH SB313987
Descriptor:Retinoic acid receptor RXR-alpha, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Jaye, M.C., Krawiec, J.A., Campobasso, N., Smallwood, A., Qiu, C., Lu, Q., Kerrigan, J.J.
Deposit date:2005-07-19
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure.
J.Med.Chem., 48, 2005
2RA0
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X-RAY STRUCTURE OF FXA IN COMPLEX WITH 7-FLUOROINDAZOLE
Descriptor:Coagulation factor X, 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide
Authors:Abad, M.C.
Deposit date:2007-09-14
Release date:2008-01-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:7-fluoroindazoles as potent and selective inhibitors of factor xa.
J.Med.Chem., 51, 2008
3DCT
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FXR WITH SRC1 AND GW4064
Descriptor:Bile acid receptor, Nuclear receptor coactivator 1, 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
Authors:Williams, S.P., Madauss, K.P.
Deposit date:2008-06-04
Release date:2008-08-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3DCU
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FXR WITH SRC1 AND GSK8062
Descriptor:Bile acid receptor, Nuclear receptor coactivator 1, 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid
Authors:Williams, S.P., Madauss, K.P.
Deposit date:2008-06-04
Release date:2008-08-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3FAL
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HUMANRXR ALPHA & MOUSE LXR ALPHA COMPLEXED WITH RETENOIC ACID AND GSK2186
Descriptor:Retinoic acid receptor RXR-alpha, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Chao, E.Y., Caravella, J.A., Watson, M.A., Campobasso, N., Ghisletti, S., Billin, A.N., Galardi, C., Willson, T.M., Zuercher, W.J., Collins, J.L.
Deposit date:2008-11-17
Release date:2009-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
3GD2
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ISOXAZOLE LIGAND BOUND TO FARNESOID X RECEPTOR (FXR)
Descriptor:Bile acid receptor, activator peptide, 3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
Authors:Madauss, K.P., Williams, S.P., Deaton, D.N., Wisely, G.B., Mcfadyen, R.B.
Deposit date:2009-02-23
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064.
Bioorg.Med.Chem.Lett., 19, 2009
3HC5
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FXR WITH SRC1 AND GSK826
Descriptor:Bile acid receptor, Nuclear receptor coactivator 1, 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, ...
Authors:Williams, S.P., Madauss, K.P.
Deposit date:2009-05-05
Release date:2009-07-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3HC6
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FXR WITH SRC1 AND GSK088
Descriptor:Bile acid receptor, Nuclear receptor coactivator 1, 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, ...
Authors:Williams, S.P., Madauss, K.P.
Deposit date:2009-05-05
Release date:2009-07-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3N00
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CRYSTAL STRUCTURE OF A DELETION MUTANT OF HUMAN REVERBA LIGAND BINDING DOMAIN BOUND WITH AN NCOR ID1 PEPTIDE DETERMINED TO 2.60A
Descriptor:Rev-erbA-alpha, Nuclear receptor corepressor 1
Authors:Gampe, R., Nolte, R.
Deposit date:2010-05-13
Release date:2010-06-30
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Rev-erbalpha bound to N-CoR reveals a unique mechanism of nuclear receptor-co-repressor interaction.
Nat.Struct.Mol.Biol., 17, 2010
3P88
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FXR BOUND TO ISOQUINOLINECARBOXYLIC ACID
Descriptor:Farnesoid X receptor, Nuclear receptor coactivator 1, 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, ...
Authors:Madauss, K.P., Williams, S.P., Deaton, D.N.
Deposit date:2010-10-13
Release date:2011-08-31
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
3P89
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FXR BOUND TO A QUINOLINECARBOXYLIC ACID
Descriptor:Farnesoid X receptor, Nuclear receptor coactivator 1, 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, ...
Authors:Madauss, K.P., Williams, S.P., Deaton, D.N.
Deposit date:2010-10-13
Release date:2011-08-31
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
3RUT
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FXR WITH SRC1 AND GSK359
Descriptor:Bile acid receptor, Nuclear receptor coactivator 1, SULFATE ION, ...
Authors:Williams, S.P., Madauss, K.P.
Deposit date:2011-05-05
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3RUU
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FXR WITH SRC1 AND GSK237
Descriptor:Bile acid receptor, Nuclear receptor coactivator 1, SULFATE ION, ...
Authors:Williams, S.P., Madauss, K.P.
Deposit date:2011-05-05
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3RVF
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FXR WITH SRC1 AND GSK2034
Descriptor:Bile acid receptor, Nuclear receptor coactivator 1, SULFATE ION, ...
Authors:Williams, S.P., Madauss, K.P.
Deposit date:2011-05-06
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
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
5K9R
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PDE10A WITH IMIDAZOPYRAZINE INHIBITOR
Descriptor:cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ...
Authors:Gibbs, A.G., Schubert, C.
Deposit date:2016-06-01
Release date:2016-08-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
2BAW
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HUMAN NUCLEAR RECEPTOR-LIGAND COMPLEX 1
Descriptor:Peroxisome proliferator activated receptor delta, HEPTYL-BETA-D-GLUCOPYRANOSIDE, VACCENIC ACID
Authors:Fyffe, S.A., Alphey, M.S., Buetow, L., Smith, T.K., Ferguson, M.A.J., Sorensen, M.D., Bjorkling, F., Hunter, W.N.
Deposit date:2005-10-15
Release date:2006-01-24
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reevaluation of the PPAR-beta/delta Ligand Binding Domain Model Reveals Why It Exhibits the Activated Form
Mol.Cell, 21, 2006
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