PDB: 1830 件ウェブページステータス検索Chemie searchBIRD

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7UJ7	Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with RU39411 分子名称: 11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2022-03-30 公開日 2022-05-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.68 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
6R7J	Ligand complex of RORg LBD 分子名称: (2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2019-03-29 公開日 2019-07-03 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
6R7K	Ligand complex of RORg LBD 分子名称: (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... 著者 Xue, Y, Aagaard, A, Narjes, F, von Berg, S. 登録日 2019-03-29 公開日 2019-07-03 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
6SUO	ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6) 分子名称: (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid, Estrogen receptor 著者 Breed, J. 登録日 2019-09-16 公開日 2019-10-30 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry. Acs Med.Chem.Lett., 10, 2019
7W0G	Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 分子名称: 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta 著者 Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. 登録日 2021-11-18 公開日 2022-02-02 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.443 Å) 主引用文献 Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis. J.Med.Chem., 65, 2022
6STI	Crystal structure of RXRalpha LBD in complex with LG 100754 and a coactivator peptide 分子名称: (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid, ACETATE ION, Nuclear receptor coactivator 2, ... 著者 le Maire, A, Teyssier, C, Germain, P, Bourguet, W. 登録日 2019-09-10 公開日 2019-11-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.892 Å) 主引用文献 Regulation of RXR-RAR Heterodimers by RXR- and RAR-Specific Ligands and Their Combinations. Cells, 8, 2019
8FKF	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR36706 To Be Published
8FKD	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33068 To Be Published
8FKG	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33486 To Be Published
8FKC	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33544 To Be Published
8FKE	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... 著者 MacTavish, B.S, Kojetin, D.J. 登録日 2022-12-21 公開日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR32904 To Be Published
8FHE	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662 分子名称: 2-chloro-5-nitro-N-phenylbenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2022-12-14 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662 To Be Published
8FHG	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437 分子名称: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2022-12-14 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437 To Be Published
4WHG	Crystal Structure of TR3 LBD in complex with Molecule 3 分子名称: 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 著者 Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. 登録日 2014-09-22 公開日 2015-09-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
8FHF	Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437 分子名称: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid 著者 Shang, J, Kojetin, D.J. 登録日 2022-12-14 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437 To Be Published
4WHF	Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one 分子名称: 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 著者 Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. 登録日 2014-09-22 公開日 2015-09-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
4WLB	Crystal structure of RORc in complex with a partial inverse agonist compound 分子名称: L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ... 著者 Boenig, G, Hymowitz, S.G, Kiefer, J.R. 登録日 2014-10-07 公開日 2014-11-12 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.702 Å) 主引用文献 A reversed sulfonamide series of selective RORc inverse agonists. Bioorg.Med.Chem.Lett., 24, 2014
8GXP	Complex structure of RORgama with betulinic acid 分子名称: Betulinic acid, Nuclear receptor ROR-gamma 著者 Zhang, X.L, Xu, C, Bai, F. 登録日 2022-09-20 公開日 2023-06-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists. Eur.J.Med.Chem., 257, 2023
4WPF	Crystal structure of RORc in complex with a phenyl sulfonamide agonist 分子名称: N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS 著者 Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G. 登録日 2014-10-18 公開日 2015-01-14 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.202 Å) 主引用文献 Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action. Acs Med.Chem.Lett., 6, 2015
4X1G	Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ... 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 (2.25 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
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
4WQP	Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist 分子名称: N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma, SULFATE ION, ... 著者 Boenig, G, Hymowitz, S.G. 登録日 2014-10-22 公開日 2015-01-14 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action. Acs Med.Chem.Lett., 6, 2015
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
4XHD	STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 分子名称: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 著者 Khan, J.A, Camac, D.M. 登録日 2015-01-05 公開日 2015-01-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR. J.Mol.Biol., 427, 2015
4XLD	Crystal structure of the human PPARg-LBD/rosiglitazone complex obtained by dry co-crystallization and in situ diffraction 分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), FORMIC ACID, ... 著者 Delfosse, V, Guichou, J.-F. 登録日 2015-01-13 公開日 2015-08-12 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015

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