2QXS
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![BU of 2qxs by Molmil](/molmil-images/mine/2qxs) | Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene | Descriptor: | Estrogen receptor, RALOXIFENE | Authors: | Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W. | Deposit date: | 2007-08-12 | Release date: | 2008-09-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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6KNW
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![BU of 6knw by Molmil](/molmil-images/mine/6knw) | THRb mutation with a novel agonist | Descriptor: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-08-07 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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6KNV
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![BU of 6knv by Molmil](/molmil-images/mine/6knv) | THRb mutation with a novel agonist | Descriptor: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-08-07 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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2QH6
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![BU of 2qh6 by Molmil](/molmil-images/mine/2qh6) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound | Descriptor: | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-29 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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6KAY
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![BU of 6kay by Molmil](/molmil-images/mine/6kay) | X-ray structure of human PPARalpha ligand binding domain-GW7647 co-crystals obtained by soaking | Descriptor: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6KB3
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![BU of 6kb3 by Molmil](/molmil-images/mine/6kb3) | X-ray structure of human PPARalpha ligand binding domain-GW7647 co-crystals obtained by delipidation and cross-seeding | Descriptor: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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2QNV
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![BU of 2qnv by Molmil](/molmil-images/mine/2qnv) | Crystal Structure of the Pregnane X Receptor bound to Colupulone | Descriptor: | 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, Orphan nuclear receptor PXR | Authors: | Teotico, D.G, Bischof, J, Redinbo, M.R. | Deposit date: | 2007-07-19 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Pregnane X Receptor bound to Colupulone TO BE PUBLISHED
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6KNR
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![BU of 6knr by Molmil](/molmil-images/mine/6knr) | Crystal structure of Estrogen-related receptor gamma ligand-binding domain with DN200699 | Descriptor: | (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol, Estrogen-related receptor gamma | Authors: | Yoon, H, Kim, J, Chin, J, Song, J, Cho, S.J. | Deposit date: | 2019-08-07 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | An orally available inverse agonist of estrogen-related receptor gamma showed expanded efficacy for the radioiodine therapy of poorly differentiated thyroid cancer. Eur.J.Med.Chem., 205, 2020
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2P7A
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![BU of 2p7a by Molmil](/molmil-images/mine/2p7a) | |
6K9M
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![BU of 6k9m by Molmil](/molmil-images/mine/6k9m) | Human LXR-beta in complex with an agonist | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | Authors: | Zhang, Z, Zhou, H. | Deposit date: | 2019-06-16 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors. Eur.J.Med.Chem., 206, 2020
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6KB2
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![BU of 6kb2 by Molmil](/molmil-images/mine/6kb2) | X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by soaking | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6KB9
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![BU of 6kb9 by Molmil](/molmil-images/mine/6kb9) | X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by cross-seeding | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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2P7Z
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![BU of 2p7z by Molmil](/molmil-images/mine/2p7z) | Estrogen Related Receptor Gamma in complex with 4-hydroxy-tamoxifen | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma | Authors: | Abad, M.C. | Deposit date: | 2007-03-21 | Release date: | 2008-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural determination of estrogen-related receptor gamma in the presence of phenol derivative compounds. J.Steroid Biochem.Mol.Biol., 108, 2008
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2R6W
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![BU of 2r6w by Molmil](/molmil-images/mine/2r6w) | Estrogen receptor alpha ligand-binding domain complexed to a SERM | Descriptor: | Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone | Authors: | Wang, Y. | Deposit date: | 2007-09-06 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method. Proc.Natl.Acad.Sci.Usa, 105, 2008
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6K5O
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![BU of 6k5o by Molmil](/molmil-images/mine/6k5o) | Development of Novel Lithocholic Acid Derivatives as Vitamin D Receptor Agonists | Descriptor: | (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Masuno, H, Kagechika, H, Ito, N. | Deposit date: | 2019-05-29 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of novel lithocholic acid derivatives as vitamin D receptor agonists. Bioorg.Med.Chem., 27, 2019
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6KAZ
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![BU of 6kaz by Molmil](/molmil-images/mine/6kaz) | X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by soaking | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6KB5
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![BU of 6kb5 by Molmil](/molmil-images/mine/6kb5) | X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic Acid (ETYA) co-crystals obtained by delipidation and cross-seeding | Descriptor: | GLYCEROL, Peroxisome proliferator-activated receptor alpha, icosa-5,8,11,14-tetraynoic acid | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6KBA
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![BU of 6kba by Molmil](/molmil-images/mine/6kba) | X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by co-crystallization | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6KAX
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![BU of 6kax by Molmil](/molmil-images/mine/6kax) | X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin) co-crystals obtained by cross-seeding | Descriptor: | GLYCEROL, PALMITIC ACID, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6KB4
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![BU of 6kb4 by Molmil](/molmil-images/mine/6kb4) | X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by delipidation and cross-seeding | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6KKE
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![BU of 6kke by Molmil](/molmil-images/mine/6kke) | THRb mutation with a novel agonist | Descriptor: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-07-25 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.577 Å) | Cite: | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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2QXM
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![BU of 2qxm by Molmil](/molmil-images/mine/2qxm) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP | Descriptor: | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Gil, G, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-08-12 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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6KB6
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![BU of 6kb6 by Molmil](/molmil-images/mine/6kb6) | X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by delipidation and cross-seeding | Descriptor: | 2-tetradecylsulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.431 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6KKB
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![BU of 6kkb by Molmil](/molmil-images/mine/6kkb) | A novel agonist of THRb | Descriptor: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-07-24 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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2QPY
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![BU of 2qpy by Molmil](/molmil-images/mine/2qpy) | AR LBD with small molecule | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ... | Authors: | Estebanez-Perpina, E, Fletterick, R. | Deposit date: | 2007-07-25 | Release date: | 2007-09-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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