6FZG
 
 | | PPAR gamma mutant complex | | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma | | Authors: | Rochel, N. | | Deposit date: | 2018-03-14 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
|
|
6FZF
 | | PPAR mutant complex | | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | | Authors: | Rochel, N. | | Deposit date: | 2018-03-14 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
|
|
6FZJ
 | | PPAR gamma mutant complex | | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, IODIDE ION, ... | | Authors: | Rochel, N. | | Deposit date: | 2018-03-14 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
|
|
6FX0
 | |
6CN5
 | |
6CN6
 | | RORC2 LBD complexed with compound 34 | | Descriptor: | 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma | | Authors: | Kauppi, B, Vajdos, F. | | Deposit date: | 2018-03-07 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
|
|
6CHZ
 | | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
|
|
6CHW
 | | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
|
|
6CHT
 | | HNF4alpha in complex with the corepressor EBP1 fragment | | Descriptor: | Hepatocyte nuclear factor 4-alpha, LAURIC ACID, Proliferation-associated protein 2G4 | | Authors: | Chi, Y.I, Singh, P, Lee, I.K. | | Deposit date: | 2018-02-22 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.174 Å) | | Cite: | ErbB3-binding protein 1 (EBP1) represses HNF4 alpha-mediated transcription and insulin secretion in pancreatic beta-cells.
J.Biol.Chem., 294, 2019
|
|
6FOD
 | | Vitamin D nuclear receptor complex 1 | | Descriptor: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2018-02-07 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
|
|
6FO8
 | | Vitamin D nuclear receptor complex 4 | | Descriptor: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2018-02-06 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
|
|
5ZA1
 | | Ligand complex of RORgt LBD | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide, DIMETHYLFORMAMIDE, ... | | Authors: | Yamamoto, S, Yamaguchi, H. | | Deposit date: | 2018-02-06 | | Release date: | 2018-10-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (ROR gamma t) inhibitor, S18-000003.
Bioorg. Med. Chem. Lett., 28, 2018
|
|
6FO7
 | | Vitamin D nuclear receptor complex 3 | | Descriptor: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2018-02-06 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
|
|
6FOB
 | | Vitamin D receptor complex 5 | | Descriptor: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2018-02-06 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
|
|
6FO9
 | | Vitamin D nuclear receptor complex 2 | | Descriptor: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2018-02-06 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
|
|
6CBZ
 | |
5Z6S
 | | Crystal structure of the PPARgamma-LBD complexed with compound DS-6930 | | Descriptor: | 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2018-01-25 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization.
Bioorg. Med. Chem., 26, 2018
|
|
5Z5S
 | | Crystal structure of the PPARgamma-LBD complexed with compound 13ab | | Descriptor: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2018-01-19 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification.
Bioorg. Med. Chem., 26, 2018
|
|
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
|
|
6C5T
 | | PPARg LBD bound to SR11023 | | Descriptor: | 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Bruning, J.B, Frkic, R.L, Griffin, P.R. | | Deposit date: | 2018-01-16 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix.
iScience, 5, 2018
|
|
6FGQ
 | | Ligand complex of RORg LBD | | Descriptor: | Nuclear receptor ROR-gamma, methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2018-01-11 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
|
|
6C42
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156 | | Descriptor: | (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol, Estrogen receptor | | Authors: | Fanning, S.W, Hodges-Gallager, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | | Deposit date: | 2018-01-11 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
|
|
6C1I
 | | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 | | Descriptor: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid | | Authors: | Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J. | | Deposit date: | 2018-01-04 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.
Nat Commun, 9, 2018
|
|
5Z12
 | | A structure of FXR/RXR | | Descriptor: | (9cis)-retinoic acid, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor, ... | | Authors: | Lu, Y, Li, Y. | | Deposit date: | 2017-12-23 | | Release date: | 2018-07-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural insights into the heterodimeric complex of the nuclear receptors FXR and RXR
J. Biol. Chem., 293, 2018
|
|
5YXJ
 | | FXR ligand binding domain | | Descriptor: | 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | | Authors: | Yi, L, Yong, L. | | Deposit date: | 2017-12-05 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | A ligand of drug binding to FXR
To Be Published
|
|
