5MPS
 
 | | Structure of a spliceosome remodeled for exon ligation | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K. | | 登録日 | 2016-12-18 | | 公開日 | 2017-01-18 | | 最終更新日 | 2020-10-07 | | 実験手法 | ELECTRON MICROSCOPY (3.85 Å) | | 主引用文献 | Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
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4Z4D
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5K3N
 | | Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209 | | 分子名称: | (3S)-3-(2H-1,3-benzodioxol-5-yl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one, Nuclear receptor ROR-gamma | | 著者 | Huang, P, Rastinejad, F, Lu, J. | | 登録日 | 2016-05-19 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.666 Å) | | 主引用文献 | Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209
To be published
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4Z4F
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5TTO
 | | X-ray crystal structure of PPARgamma in complex with SR1643 | | 分子名称: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma | | 著者 | Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A. | | 登録日 | 2016-11-04 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.246 Å) | | 主引用文献 | Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
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5U3X
 | | Human PPARdelta ligand-binding domain in complexed with specific agonist 8 | | 分子名称: | 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | | 著者 | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | | 登録日 | 2016-12-03 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U0P
 | | Cryo-EM structure of the transcriptional Mediator | | 分子名称: | Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ... | | 著者 | Tsai, K.-L, Yu, X, Gopalan, S, Chao, T.-C, Zhang, Y, Florens, L, Washburn, M.P, Murakami, K, Conaway, R.C, Conaway, J.W, Asturias, F. | | 登録日 | 2016-11-26 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Mediator structure and rearrangements required for holoenzyme formation.
Nature, 544, 2017
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5U3V
 | | Human PPARdelta ligand-binding domain in complexed with specific agonist 6 | | 分子名称: | 6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | | 著者 | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | | 登録日 | 2016-12-03 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5L
 | | X-ray Crystal Structure of the PPARgamma Ligand Binding Domain in Complex with Rivoglitazone | | 分子名称: | (5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | 著者 | Bruning, J.B, Rajapaksha, H, Wegener, K, Bhatia, H. | | 登録日 | 2016-12-06 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | X-ray crystal structure of rivoglitazone bound to PPAR gamma and PPAR subtype selectivity of TZDs.
Biochim. Biophys. Acta, 1861, 2017
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4Z4E
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6BR3
 | | Structure of RORgt in complex with a novel inverse agonist TAK-828. | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | | 著者 | Skene, R.J, Hoffman, I. | | 登録日 | 2017-11-29 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
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5K13
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4Z4G
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8QQE
 | | Crystal structure of the complex between DMC1 and the PhePP domain of BRCA2 | | 分子名称: | Breast cancer type 2 susceptibility protein, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Miron, S, Legrand, P, Zinn-Justin, S. | | 登録日 | 2023-10-04 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (3.461 Å) | | 主引用文献 | DMC1 and RAD51 bind FxxA and FxPP motifs of BRCA2 via two separate interfaces.
Nucleic Acids Res., 52, 2024
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4WVD
 | | Identification of a novel FXR ligand that regulates metabolism | | 分子名称: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | | 著者 | Wang, R, Li, Y. | | 登録日 | 2014-11-05 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
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2A4L
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5UFO
 | | Structure of RORgt bound to | | 分子名称: | (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 | | 著者 | Spurlino, J. | | 登録日 | 2017-01-05 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | | 主引用文献 | 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 | | 分子名称: | (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 | | 著者 | Shang, J, Kojetin, D.J. | | 登録日 | 2017-01-09 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
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5UHI
 | | Structure of RORgt bound to | | 分子名称: | (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 | | 著者 | Spurlino, J, Abad, M. | | 登録日 | 2017-01-11 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.198 Å) | | 主引用文献 | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
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6PDZ
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5K3M
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4X1F
 | | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Delfosse, V, Huet, T, Bourguet, W. | | 登録日 | 2014-11-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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6BR2
 | | Structure of RORgt in complex with a novel isoquinoline inverse agonist. | | 分子名称: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma | | 著者 | Skene, R.J, Hoffman, I. | | 登録日 | 2017-11-29 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
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5VB3
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1W5X
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | 分子名称: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | 登録日 | 2004-08-10 | | 公開日 | 2004-12-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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