PDB: 1811 件ウェブページステータス検索Chemie searchBIRD

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7KBS	Estrogen Receptor Alpha Ligand Binding Domain in Complex with Raloxifene 分子名称: Estrogen receptor, RALOXIFENE 著者 Fanning, S.W. 登録日 2020-10-02 公開日 2020-11-18 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.834 Å) 主引用文献 Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
7AHJ	Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar 分子名称: 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator-activated receptor gamma 著者 Schoenmakers, E, Schwabe, B.T.W, Fairall, L, Chatterjee, K, Schwabe, J.W.R. 登録日 2020-09-24 公開日 2020-10-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar To Be Published
7D42	Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor 分子名称: Bile acid receptor, Peptide from Nuclear receptor coactivator 2, Tropifexor 著者 Jiang, L, Chen, Y. 登録日 2020-09-22 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.697 Å) 主引用文献 Structural basis of tropifexor as a potent and selective agonist of farnesoid X receptor. Biochem.Biophys.Res.Commun., 534, 2021
7CXE	The ligand-free structure of human PPARgamma LBD R280C mutant 分子名称: Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2020-09-01 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The ligand-free structure of human PPARgamma LBD To Be Published
7CXJ	The ligand-free structure of human PPARgamma LBD R288C mutant in the presence of the SRC-1 coactivator peptide 分子名称: 16-mer peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2020-09-01 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 The ligand-free structure of human PPARgamma LBD To Be Published
7CXF	The ligand-free structure of human PPARgamma LBD C285Y mutant in the presence of the SRC-1 coactivator peptide 分子名称: 16-mer peptide from Nuclear receptor coactivator 1, MALONIC ACID, Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2020-09-01 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 The ligand-free structure of human PPARgamma LBD To Be Published
7CXK	The ligand-free structure of human PPARgamma LBD R288H mutant in the presence of the SRC-1 coactivator peptide 分子名称: 16-mer peptide from Nuclear receptor coactivator 1, MALONATE ION, Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2020-09-01 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The ligand-free structure of human PPARgamma LBD To Be Published
7CXL	The ligand-free structure of human PPARgamma LBD S289C mutant in the presence of the SRC-1 coactivator peptide 分子名称: 16-mer peptide from Nuclear receptor coactivator 1, MALONIC ACID, Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2020-09-01 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The ligand-free structure of human PPARgamma LBD To Be Published
7CXG	The ligand-free structure of human PPARgamma LBD Q286E mutant 分子名称: GLYCEROL, Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2020-09-01 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 The ligand-free structure of human PPARgamma LBD To Be Published
7CXI	The ligand-free structure of human PPARgamma LBD F287Y mutant in the presence of the SRC-1 coactivator peptide 分子名称: 16-mer peptide from Nuclear receptor coactivator 1, MALONATE ION, Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2020-09-01 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The ligand-free structure of human PPARgamma LBD To Be Published
7CXH	The ligand-free structure of human PPARgamma LBD Q286E mutant in the presence of the SRC-1 coactivator peptide 分子名称: 16-mer peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2020-09-01 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The ligand-free structure of human PPARgamma LBD To Be Published
7JYM	CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST 分子名称: (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 著者 Sack, J. 登録日 2020-08-31 公開日 2020-11-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.051 Å) 主引用文献 Novel Tricyclic Pyroglutamide Derivatives as Potent ROR gamma t Inverse Agonists Identified using a Virtual Screening Approach. Acs Med.Chem.Lett., 11, 2020
7JYD	Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2 分子名称: 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 D'Agostino, E.H, Mays, S.G, Ortlund, E.A. 登録日 2020-08-30 公開日 2022-03-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis To Be Published
7JYE	Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 分子名称: 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 D'Agostino, E.H, Mays, S.G, Ortlund, E.A. 登録日 2020-08-30 公開日 2022-03-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.551 Å) 主引用文献 Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis To Be Published
7A7H	Crystal structure of PPARgamma in complex with compound TK90 分子名称: (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid, 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma 著者 Ni, X, Kirchner, T, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-08-28 公開日 2021-08-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Combined Cardioprotective and Adipocyte Browning Effects Promoted by the Eutomer of Dual sEH/PPAR gamma Modulator. J.Med.Chem., 64, 2021
7A78	Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... 著者 Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-08-27 公開日 2020-10-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
7A77	Crystal structure of RXR alpha LBD in complexes with palmitic acid and GRIP-1 peptide 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... 著者 Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-08-27 公開日 2020-10-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
7A79	Crystal structure of RXR gamma LBD in complexes with palmitic acid and GRIP-1 peptide 分子名称: Nuclear receptor coactivator 2, PALMITIC ACID, Retinoic acid receptor RXR-gamma 著者 Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-08-27 公開日 2020-10-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
7JTW	Crystal structure of RORgt with compound (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid 分子名称: (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid, GLYCEROL, RAR-related orphan receptor C isoform a variant, ... 著者 Min, X, Wang, Z. 登録日 2020-08-18 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of 6-Oxo-4-phenyl-hexanoic acid derivatives as ROR gamma t inverse agonists showing favorable ADME profile. Bioorg.Med.Chem.Lett., 36, 2021
7JTM	CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST 分子名称: Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid 著者 Sack, J.S. 登録日 2020-08-18 公開日 2020-09-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg.Med.Chem.Lett., 30, 2020
7JQG	Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with GW1929 分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2020-08-10 公開日 2021-03-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
7JH2	CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A POTENT, SELECTIVE AND ORALLY BIOAVAILABLE ROR-GAMMA-T INVERSE AGONIST 分子名称: 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile, Nuclear receptor ROR-gamma, SULFATE ION 著者 Sack, J.S. 登録日 2020-07-20 公開日 2020-08-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.367 Å) 主引用文献 Discovery of 2,6-difluorobenzyl ether series of phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfones as surprisingly potent, selective and orally bioavailable ROR gamma t inverse agonists. Bioorg.Med.Chem.Lett., 30, 2020
7JHD	Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide 分子名称: 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2 著者 Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L. 登録日 2020-07-20 公開日 2020-11-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.402 Å) 主引用文献 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
6XP9	STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1 分子名称: (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, GLYCEROL, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion 著者 Khan, J.A. 登録日 2020-07-08 公開日 2020-09-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 30, 2020
6ZOQ	Oestrogen receptor ligand binding domain in complex with compound 16 分子名称: Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine 著者 Breed, J. 登録日 2020-07-07 公開日 2021-01-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020

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