8B90
 
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d) | | 分子名称: | 5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
|
|
8B8Z
 | | Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound 7e) | | 分子名称: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
|
|
8B8Y
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) | | 分子名称: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Holton, S.J, Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
|
|
8B8X
 | | Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist | | 分子名称: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
|
|
8B8W
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a) | | 分子名称: | 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, GLYCEROL, Nuclear receptor corepressor 2, ... | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
|
|
8ATZ
 | | Crystal structure of PPAR gamma (PPARG) in complex with SA112 (compound 2). | | 分子名称: | 2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Arifi, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-08-24 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
|
|
8ATY
 | | Crystal structure of PPAR gamma (PPARG) in complex with JP85 (compound 1). | | 分子名称: | 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-08-24 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
|
|
8AQN
 | | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | | 分子名称: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-08-12 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 .
J.Med.Chem., 65, 2022
|
|
8AQM
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) | | 分子名称: | 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-08-12 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 .
J.Med.Chem., 65, 2022
|
|
8ADF
 | | X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ39 | | 分子名称: | (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one, Peroxisome proliferator-activated receptor gamma | | 著者 | Capelli, D, Montanari, R, Pochetti, G, Meneghetti, F, Villa, S. | | 登録日 | 2022-07-08 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Biological Screening and Crystallographic Studies of Hydroxy gamma-Lactone Derivatives to Investigate PPAR gamma Phosphorylation Inhibition.
Biomolecules, 13, 2023
|
|
7ZU2
 | | Crystal structure of mutant AR-LBD (Q799E) bound to dihydrotestosterone | | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE | | 著者 | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-05-11 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
|
|
7ZU1
 | | Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | | 著者 | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-05-11 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
|
|
7ZTZ
 | | Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone | | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE, ... | | 著者 | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-05-11 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
|
|
7ZTX
 | | Crystal structure of mutant AR-LBD (F755V) bound to dihydrotestosterone | | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE, ... | | 著者 | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-05-11 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
|
|
7ZTV
 | | Crystal structure of mutant AR-LBD (F755L) bound to dihydrotestosterone | | 分子名称: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor | | 著者 | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-05-11 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
|
|
7ZFX
 | | VDR complex with Aromatic-D-Ring Analog | | 分子名称: | (1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | | 著者 | Rochel, N. | | 登録日 | 2022-04-01 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
J.Med.Chem., 65, 2022
|
|
7ZFG
 | | VDR complex with aromatic D-ring analog | | 分子名称: | (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | | 著者 | Rochel, N. | | 登録日 | 2022-04-01 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
J.Med.Chem., 65, 2022
|
|
7YXR
 | | Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment | | 分子名称: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... | | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-02-16 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
7YXP
 | | Crystal structure of WT AncGR2-LBD WT bound to dexamethasone and SHP coregulator fragment | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ... | | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-02-16 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.36 Å) | | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
7YXO
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ... | | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-02-16 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
7YXN
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | 分子名称: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... | | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-02-16 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
7YXD
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | 分子名称: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, SHP NR Box 1 Peptide, ... | | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-02-15 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
7YXC
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | 分子名称: | Ancestral Glucocorticoid Receptor2, CARBONATE ION, DEXAMETHASONE, ... | | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-02-15 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
7YMK
 | | Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide | | 分子名称: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | 著者 | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-07-28 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of novel covalent selective estrogen receptor degraders against endocrine-resistant breast cancer.
Acta Pharm Sin B, 13, 2023
|
|
7YFK
 | | The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin | | 分子名称: | Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 | | 著者 | Xia, Y, Yao, D, Huang, C, Cao, Y. | | 登録日 | 2022-07-08 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions.
Nat Commun, 14, 2023
|
|
