3GWX
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![BU of 3gwx by Molmil](/molmil-images/mine/3gwx) | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)) | 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: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
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3WT7
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![BU of 3wt7 by Molmil](/molmil-images/mine/3wt7) | Crystal structure of VDR-LBD complexed with 22R-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1 ,25-dihydroxyvitamin D3 | Descriptor: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | Deposit date: | 2014-04-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group. J.Med.Chem., 57, 2014
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1E3G
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![BU of 1e3g by Molmil](/molmil-images/mine/1e3g) | Human Androgen Receptor Ligand Binding in complex with the ligand metribolone (R1881) | Descriptor: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, ANDROGEN RECEPTOR | Authors: | Matias, P.M, Donner, P, Coelho, R, Thomaz, M, Peixoto, C, Macedo, S, Otto, N, Joschko, S, Scholz, P, Wegg, A, Basler, S, Schafer, M, Ruff, M, Egner, U, Carrondo, M.A. | Deposit date: | 2000-06-14 | Release date: | 2001-06-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural evidence for ligand specificity in the binding domain of the human androgen receptor. Implications for pathogenic gene mutations. J. Biol. Chem., 275, 2000
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3GYT
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![BU of 3gyt by Molmil](/molmil-images/mine/3gyt) | Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4 | Descriptor: | (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1 | Authors: | Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J. | Deposit date: | 2009-04-05 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes. Proc.Natl.Acad.Sci.USA, 106, 2009
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6LOB
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![BU of 6lob by Molmil](/molmil-images/mine/6lob) | Crystal structure of RORgammat with ligand C46D bound | Descriptor: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma | Authors: | Feng, Y, Shijie, C. | Deposit date: | 2020-01-04 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.40006661 Å) | Cite: | Crystal structure of RORgammat with ligand C46D bound To Be Published
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3O1D
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![BU of 3o1d by Molmil](/molmil-images/mine/3o1d) | Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. | Descriptor: | (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2010-07-21 | Release date: | 2011-07-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4007 Å) | Cite: | Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Medchemcomm, 2, 2011
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5KRA
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![BU of 5kra by Molmil](/molmil-images/mine/5kra) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE | Descriptor: | 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene, 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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7JHD
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![BU of 7jhd by Molmil](/molmil-images/mine/7jhd) | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide | Descriptor: | 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L. | Deposit date: | 2020-07-20 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Rapid Induction of the Unfolded Protein Response and Apoptosis by Estrogen Mimic TTC-352 for the Treatment of Endocrine-Resistant Breast Cancer. Mol.Cancer Ther., 20, 2021
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2R40
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![BU of 2r40 by Molmil](/molmil-images/mine/2r40) | Crystal structure of 20E bound EcR/USP | Descriptor: | (2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one, CITRATE ANION, Ecdysone Receptor, ... | Authors: | Moras, D, Billas, I.M.L, Browning, C. | Deposit date: | 2007-08-30 | Release date: | 2007-10-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Critical Role of Desolvation in the Binding of 20-Hydroxyecdysone to the Ecdysone Receptor J.Biol.Chem., 282, 2007
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5OW9
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![BU of 5ow9 by Molmil](/molmil-images/mine/5ow9) | Vitamin D receptor complex | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Li, W. | Deposit date: | 2017-08-31 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
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5DMC
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![BU of 5dmc by Molmil](/molmil-images/mine/5dmc) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a nitrile-substituted triaryl-ethylene derivative 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile | Descriptor: | 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-08 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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6C5Q
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![BU of 6c5q by Molmil](/molmil-images/mine/6c5q) | PPARg LBD bound to SR10171 | Descriptor: | 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Bruning, J.B, Frkic, R.L. | Deposit date: | 2018-01-16 | Release date: | 2018-08-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.404 Å) | Cite: | PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience, 5, 2018
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2Q6R
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![BU of 2q6r by Molmil](/molmil-images/mine/2q6r) | |
6ILQ
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![BU of 6ilq by Molmil](/molmil-images/mine/6ilq) | Crystal structure of PPARgamma with compound BR101549 | Descriptor: | Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Authors: | Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H. | Deposit date: | 2018-10-19 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR. Bioorg.Med.Chem.Lett., 29, 2019
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4KZI
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![BU of 4kzi by Molmil](/molmil-images/mine/4kzi) | Crystal Structure of TR3 LBD in complex with DPDO | Descriptor: | 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | Deposit date: | 2013-05-30 | Release date: | 2013-12-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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8CYO
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![BU of 8cyo by Molmil](/molmil-images/mine/8cyo) | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond | Descriptor: | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide, CHLORIDE ION, Nuclear receptor subfamily 4 group A member 2 | Authors: | Bruning, J.M, Liu, J, England, P.M. | Deposit date: | 2022-05-24 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond To Be Published
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2ZK6
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![BU of 2zk6 by Molmil](/molmil-images/mine/2zk6) | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with C8-BODIPY | Descriptor: | Peroxisome proliferator-activated receptor gamma, difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron | Authors: | Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K. | Deposit date: | 2008-03-12 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites Embo J., 29, 2010
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3R8A
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![BU of 3r8a by Molmil](/molmil-images/mine/3r8a) | |
4OAR
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![BU of 4oar by Molmil](/molmil-images/mine/4oar) | Progesterone receptor with bound ulipristal acetate and a peptide from the co-repressor SMRT | Descriptor: | Peptide from Nuclear receptor corepressor 2, Progesterone receptor, [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate | Authors: | Petit-Topin, I, Fay, M.R, Resche-Rigon, M, Ulmann, A, Gainer, E, Rafestin-Oblin, M.-E, Fagart, J. | Deposit date: | 2014-01-06 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Molecular determinants of the recognition of ulipristal acetate by oxo-steroid receptors. J.Steroid Biochem.Mol.Biol., 144PB, 2014
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7KXE
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5TLL
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![BU of 5tll by Molmil](/molmil-images/mine/5tll) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-2-chloro-4'-hydroxy-4-((hydroxyiminio)methyl)-[1,1'-biphenyl]-3-olate | Descriptor: | 2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-11 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.423 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TMU
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![BU of 5tmu by Molmil](/molmil-images/mine/5tmu) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(cycloheptylidenemethylene)diphenol | Descriptor: | 4,4'-(cycloheptylidenemethylene)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.429 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5DWI
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![BU of 5dwi by Molmil](/molmil-images/mine/5dwi) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | Descriptor: | 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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3VHW
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![BU of 3vhw by Molmil](/molmil-images/mine/3vhw) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 4-MP | Descriptor: | Vitamin D3 receptor, methyl (1S,3E)-3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3R,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name) | Authors: | Kakuda, S, Takimoto-Kamimura, M. | Deposit date: | 2011-09-08 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Synthesis of novel C-2 substituted vitamin D derivatives having ringed side chains and their biological evaluation on bone J.Steroid Biochem.Mol.Biol., 136, 2013
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7BPZ
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![BU of 7bpz by Molmil](/molmil-images/mine/7bpz) | X-ray structure of human PPARalpha ligand binding domain-bezafibrate-SRC1 coactivator peptide co-crystals obtained by soaking | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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