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7JYD
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BU of 7jyd by Molmil
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
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BU of 7jye by Molmil
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
8DAF
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BU of 8daf by Molmil
Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid
分子名称: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
著者D'Agostino, E.H, Cato, M.L, Ortlund, E.A.
登録日2022-06-13
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
7TT8
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BU of 7tt8 by Molmil
Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator
分子名称: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2022-01-31
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
8F8M
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BU of 8f8m by Molmil
LRH-1 bound to small molecule Tet and fragment of coactivator Tif2
分子名称: (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2022-11-22
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Isosteric improvements to liver receptor homolog-1 small molecule modulators
To Be Published
6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2020-01-13
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
5UFS
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BU of 5ufs by Molmil
X-Ray Crystal Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with triamcinolone acetonide and SHP coregulator fragment
分子名称: Ancestral Glucocorticoid Receptor2, SHP NR Box 1 Peptide, Triamcinolone acetonide
著者Weikum, E.R, Ortlund, E.A.
登録日2017-01-05
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.118 Å)
主引用文献Structural Analysis of the Glucocorticoid Receptor Ligand-Binding Domain in Complex with Triamcinolone Acetonide and a Fragment of the Atypical Coregulator, Small Heterodimer Partner.
Mol. Pharmacol., 92, 2017
5UJ6
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BU of 5uj6 by Molmil
Crystal Structure of Bacteroides Uniformis beta-glucuronidase
分子名称: CALCIUM ION, GLYCEROL, Glycosyl hydrolases family 2, ...
著者Walton, W.G, Redinbo, M.R.
登録日2017-01-17
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Atlas of beta-Glucuronidases in the Human Intestinal Microbiome.
Structure, 25, 2017
6VC2
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BU of 6vc2 by Molmil
LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator
分子名称: (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Mays, S.G, Ortlund, E.A.
登録日2019-12-20
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist.
Sci Rep, 10, 2020

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件を2024-06-12に公開中

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