5WR0
| Huisgen cycloaddition for PPARg-LBD labeling by soaking method | Descriptor: | (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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5WQX
| Covalent bond formation of synthetic ligand with hPPARg-LBD | Descriptor: | 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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5WGQ
| Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-BCP1 | Descriptor: | ESTRADIOL, Estrogen receptor, SRC2-BCP1 | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Siddiqui, Z, Greene, G.L, Tajkhorshid, E, Moore, T.W. | Deposit date: | 2017-07-14 | Release date: | 2018-06-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A "cross-stitched" peptide with improved helicity and proteolytic stability. Org. Biomol. Chem., 16, 2018
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5WGD
| Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-LP1 | Descriptor: | (ACE)AILHKLLQDS(NH2), (ACE)HKILHKLLQDS(NH2), ESTRADIOL, ... | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Siddiqui, Z, Greene, G.L, Tajkhorshid, E, Moore, T.W. | Deposit date: | 2017-07-14 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A "cross-stitched" peptide with improved helicity and proteolytic stability. Org. Biomol. Chem., 16, 2018
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5W9D
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5W9C
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5W4V
| Structure of RORgt bound to a tertiary alcohol | Descriptor: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma | Authors: | Spurlino, J, Hars, U. | Deposit date: | 2017-06-13 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 6-Substituted quinolines as ROR gamma t inverse agonists. Bioorg. Med. Chem. Lett., 27, 2017
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5W4R
| Structure of RORgt bound to a tertiary alcohol | Descriptor: | 1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one, Nuclear receptor ROR-gamma | Authors: | Spurlino, J. | Deposit date: | 2017-06-12 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | 6-Substituted quinolines as ROR gamma t inverse agonists. Bioorg. Med. Chem. Lett., 27, 2017
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5VQL
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5VQK
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5VO4
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5VB7
| X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide | Descriptor: | N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ... | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.335 Å) | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
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5VB6
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5VB5
| X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide | Descriptor: | N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ... | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
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5VB3
| X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide | Descriptor: | Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
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5V8Q
| Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III | Descriptor: | 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL | Authors: | Wilson, K.P. | Deposit date: | 2017-03-22 | Release date: | 2017-05-24 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate. Bioorg. Med. Chem., 25, 2017
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5V39
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5UNJ
| Structure of Human Liver Receptor Homolog 1 in complex with PGC1a and RJW100 | Descriptor: | (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Peroxisome proliferator-activated gamma coactivator 1-alpha | Authors: | Mays, S.G, Ortlund, E.A. | Deposit date: | 2017-01-31 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.959 Å) | Cite: | Structure and Dynamics of the Liver Receptor Homolog 1-PGC1 alpha Complex. Mol. Pharmacol., 92, 2017
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5UHI
| Structure of RORgt bound to | Descriptor: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol, Nuclear receptor ROR-gamma | Authors: | Spurlino, J, Abad, M. | Deposit date: | 2017-01-11 | Release date: | 2017-04-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.198 Å) | Cite: | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t. Bioorg. Med. Chem. Lett., 27, 2017
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5UGM
| Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Edaglitazone | Descriptor: | (5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma, nonanoic acid | Authors: | Shang, J, Kojetin, D.J. | Deposit date: | 2017-01-09 | Release date: | 2018-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma. Elife, 7, 2018
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5UFX
| Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1074 | Descriptor: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor | Authors: | Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | Deposit date: | 2017-01-06 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5503 Å) | Cite: | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity. Nat Commun, 9, 2018
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5UFW
| Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154 | Descriptor: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor | Authors: | Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | Deposit date: | 2017-01-06 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.583 Å) | Cite: | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity. Nat Commun, 9, 2018
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5UFS
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5UFR
| Structure of RORgt bound to | Descriptor: | (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol, Nuclear receptor ROR-gamma | Authors: | Spurlino, J, Abad, M. | Deposit date: | 2017-01-05 | Release date: | 2017-04-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.068 Å) | Cite: | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t. Bioorg. Med. Chem. Lett., 27, 2017
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5UFO
| Structure of RORgt bound to | Descriptor: | (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma | Authors: | Spurlino, J. | Deposit date: | 2017-01-05 | Release date: | 2017-04-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t. Bioorg. Med. Chem. Lett., 27, 2017
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