Author results

3PEQ
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PPARD COMPLEXED WITH A PHENOXYACETIC ACID PARTIAL AGONIST
Descriptor:Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, hexyl beta-D-glucopyranoside, ...
Authors:Lambert, M.H., Evans, K.A., Shearer, B.G., Wisnoski, D.D., Shi, D., Jin, J., Rivero, R.A., Sparks, S.M., Winegar, D.A., Billin, A.N., Britt, C., Way, J.M., Leesnitzer, L.M., Merrihew, R.V.
Deposit date:2010-10-27
Release date:2011-10-12
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21, 2011
3S9S
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LIGAND BINDING DOMAIN OF PPARGAMMA COMPLEXED WITH A BENZIMIDAZOLE PARTIAL AGONIST
Descriptor:Peroxisome proliferator-activated receptor gamma, Nuclear receptor coactivator 1, 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide
Authors:Lambert, M.H., Xu, R.X.
Deposit date:2011-06-02
Release date:2012-06-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPARgamma partial agonist.
Bioorg.Med.Chem.Lett., 21, 2011
1G1U
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THE 2.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN IN TETRAMER IN THE ABSENCE OF LIGAND
Descriptor:RETINOIC ACID RECEPTOR RXR-ALPHA
Authors:Gampe Jr., R.T., Montana, V.G., Lambert, M.H., Wisely, G.B., Milburn, M.V., Xu, H.E.
Deposit date:2000-10-13
Release date:2001-04-25
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix.
Genes Dev., 14, 2000
1G5Y
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THE 2.0 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN TETRAMER IN THE PRESENCE OF A NON-ACTIVATING RETINOIC ACID ISOMER.
Descriptor:RETINOIC ACID RECEPTOR RXR-ALPHA, RETINOIC ACID
Authors:Gampe Jr., R.T., Montana, V.G., Lambert, M.H., Wisely, G.B., Milburn, M.V., Xu, H.E.
Deposit date:2000-11-02
Release date:2001-05-02
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix.
Genes Dev., 14, 2000
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
2P54
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A CRYSTAL STRUCTURE OF PPAR ALPHA BOUND WITH SRC1 PEPTIDE AND GW735
Descriptor:Peroxisome proliferator-activated receptor alpha, Nuclear receptor coactivator 1, 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID
Authors:Xu, R.X., Xu, H.E., Sierra, M.L., Montana, V.G., Lambert, M.H., Pianetti, P.M.
Deposit date:2007-03-14
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Substituted 2-[(4-Aminomethyl)phenoxy]-2-methylpropionic Acid PPAR Agonists. 1.Discovery of a Novel Series of Potent HDLc Raising Agents.
J.Med.Chem., 50, 2007
1CGL
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STRUCTURE OF THE CATALYTIC DOMAIN OF FIBROBLAST COLLAGENASE COMPLEXED WITH AN INHIBITOR
Descriptor:FIBROBLAST COLLAGENASE, ZINC ION, CALCIUM ION, ...
Authors:Lovejoy, B., Cleasby, A., Hassell, A.M., Longley, K., Luther, M.A., Weigl, D., Mcgeehan, G., Mcelroy, A.B., Drewry, D., Lambert, M.H., Jordan, S.R.
Deposit date:1993-11-17
Release date:1995-02-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor.
Science, 263, 1994
1F0J
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B
Descriptor:PHOSPHODIESTERASE 4B, ZINC ION, MAGNESIUM ION, ...
Authors:Xu, R.X., Hassell, A.M., Vanderwall, D., Lambert, M.H., Holmes, W.D., Luther, M.A., Rocque, W.J., Milburn, M.V., Zhao, Y., Ke, H., Nolte, R.T.
Deposit date:2000-05-16
Release date:2000-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity.
Science, 288, 2000
1FM6
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THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND ROSIGLITAZONE AND CO-ACTIVATOR PEPTIDES.
Descriptor:RETINOIC ACID RECEPTOR RXR-ALPHA, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA, STEROID RECEPTOR COACTIVATOR, ...
Authors:Gampe Jr., R.T., Montana, V.G., Lambert, M.H., Miller, A.B., Bledsoe, R.K., Milburn, M.V., Kliewer, S.A., Willson, T.M., Xu, H.E.
Deposit date:2000-08-16
Release date:2001-02-16
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors.
Mol.Cell, 5, 2000
1FM9
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THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND GI262570 AND CO-ACTIVATOR PEPTIDES.
Descriptor:RETINOIC ACID RECEPTOR RXR-ALPHA, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA, STEROID RECEPTOR COACTIVATOR, ...
Authors:Gampe Jr., R.T., Montana, V.G., Lambert, M.H., Miller, A.B., Bledsoe, R.K., Milburn, M.V., Kliewer, S.A., Willson, T.M., Xu, H.E.
Deposit date:2000-08-16
Release date:2001-02-16
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors.
Mol.Cell, 5, 2000
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
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
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
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
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
1NRL
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CRYSTAL STRUCTURE OF THE HUMAN PXR-LBD IN COMPLEX WITH AN SRC-1 COACTIVATOR PEPTIDE AND SR12813
Descriptor:Orphan nuclear receptor PXR, Nuclear Receptor Coactivator 1 isoform 3, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
Authors:Watkins, R.E., Davis-Searles, P.R., Lambert, M.H., Redinbo, M.R.
Deposit date:2003-01-25
Release date:2003-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Coactivator binding promotes the specific interaction between ligand and the pregnane X receptor
J.Mol.Biol., 331, 2003
1P8D
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X-RAY CRYSTAL STRUCTURE OF LXR LIGAND BINDING DOMAIN WITH 24(S),25-EPOXYCHOLESTEROL
Descriptor:Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3, 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL
Authors:Williams, S., Bledsoe, R.K., Collins, J.L., Boggs, S., Lambert, M.H., Miller, A.B., Moore, J., McKee, D.D., Moore, L., Nichols, J., Parks, D., Watson, M., Wisely, B., Willson, T.M.
Deposit date:2003-05-06
Release date:2003-07-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003
1PDU
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LIGAND-BINDING DOMAIN OF DROSOPHILA ORPHAN NUCLEAR RECEPTOR DHR38
Descriptor:nuclear hormone receptor HR38
Authors:Baker, K.D., Shewchuk, L.M., Korlova, T., Makishima, M., Hassell, A.M., Wisely, B., Caravella, J.A., Lambert, M.H., Wilson, T.M., Mangelsdorf, D.J.
Deposit date:2003-05-20
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Drosophila orphan nuclear receptor DHR38 mediates an atypical ecdysteroid signaling pathway.
Cell(Cambridge,Mass.), 113, 2003
1RO6
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CRYSTAL STRUCTURE OF PDE4B2B COMPLEXED WITH ROLIPRAM (R & S)
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, MANGANESE (II) ION, ...
Authors:Xu, R.X., Rocque, W.J., Lambert, M.H., Vanderwall, D.E., Nolte, R.T.
Deposit date:2003-12-01
Release date:2004-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram.
J.Mol.Biol., 337, 2004
1RO9
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CRYSTAL STRUCTURES OF THE CATALYTIC DOMAIN OF PHOSPHODIESTERASE 4B2B COMPLEXED WITH 8-BR-AMP
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE
Authors:Xu, R.X., Rocque, W.J., Lambert, M.H., Vanderwall, D.E., Nolte, R.T.
Deposit date:2003-12-01
Release date:2004-12-07
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram.
J.Mol.Biol., 337, 2004
1ROR
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CRYSTAL STRUCTURES OF THE CATALYTIC DOMAIN OF PHOSPHODIESTERASE 4B2B COMPLEXED WITH AMP
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, ADENOSINE MONOPHOSPHATE
Authors:Xu, R.X., Rocque, W.J., Lambert, M.H., Vanderwall, D.E., Nolte, R.T.
Deposit date:2003-12-02
Release date:2004-12-07
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram.
J.Mol.Biol., 337, 2004
1SQN
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PROGESTERONE RECEPTOR LIGAND BINDING DOMAIN WITH BOUND NORETHINDRONE
Descriptor:progesterone receptor, (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one
Authors:Williams, S.P., Madauss, K.P., Deng, J.-S., Austin, R.J.H., Lambert, M.H., McLay, I., Pritchard, J., Short, S.A., Stewart, E.L., Uings, I.J.
Deposit date:2004-03-19
Release date:2004-07-27
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
1SR7
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PROGESTERONE RECEPTOR HORMONE BINDING DOMAIN WITH BOUND MOMETASONE FUROATE
Descriptor:Progesterone receptor, MOMETASONE FUROATE, SULFATE ION, ...
Authors:Madauss, K.P., Deng, S.-J., Austin, R.J., Lambert, M.H., McLay, I., Pritchard, J., Short, S.A., Stewart, E.L., Uings, I.J., Williams, S.P.
Deposit date:2004-03-22
Release date:2004-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
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
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