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PDB: 100 件

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
5L0M
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BU of 5l0m by Molmil
hLRH-1 DNA Binding Domain - 12bp Oct4 promoter complex
分子名称: DNA (5'-D(*CP*TP*AP*GP*CP*CP*TP*TP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*AP*AP*GP*GP*CP*TP*AP*G)-3'), GLYCEROL, ...
著者Tuntland, M.L, Ortlund, E.A.
登録日2016-07-27
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献A Structural Investigation into Oct4 Regulation by Orphan Nuclear Receptors, Germ Cell Nuclear Factor (GCNF), and Liver Receptor Homolog-1 (LRH-1).
J. Mol. Biol., 428, 2016
6NWL
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BU of 6nwl by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with hydrocortisone and PGC1a coregulator fragment
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Liu, X, Ortlund, E.A.
登録日2019-02-06
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids.
Mol.Pharmacol., 96, 2019
6NWK
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BU of 6nwk by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with dexamethasone and PGC1a coregulator fragment
分子名称: ACETYL GROUP, DEXAMETHASONE, DIMETHYL SULFOXIDE, ...
著者Liu, X, Ortlund, E.A.
登録日2019-02-06
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids.
Mol.Pharmacol., 96, 2019
6OQX
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BU of 6oqx by Molmil
Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator
分子名称: (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Mays, S.G, Ortlund, E.A.
登録日2019-04-29
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
6OR1
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BU of 6or1 by Molmil
Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator
分子名称: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Mays, S.G, Ortlund, E.A.
登録日2019-04-29
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
8EYG
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BU of 8eyg by Molmil
SARS-CoV-2 spike protein complexed with two nanobodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ...
著者Laughlin, Z.T, Patel, A, Ortlund, E.A.
登録日2022-10-27
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献SARS-CoV-2 spike protein bound with nanobodies
To Be Published
8GDR
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BU of 8gdr by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-S21B10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody 002-S21B10 heavy chain variable domain, ...
著者Patel, A, Ortlund, E.A.
登録日2023-03-06
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Elucidating the mechanism of SARS-CoV-2 Omicron variant escape from a RBD class-3 human antibody
To Be Published
6OQY
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Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator
分子名称: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Mays, S.G, Ortlund, E.A.
登録日2019-04-29
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
5L11
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BU of 5l11 by Molmil
Human Liver Receptor Homologue-1 (LRH-1) Bound to RJW100 and a Fragment of TIF-2
分子名称: (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Tif2
著者Mays, S.G, Ortlund, E.A.
登録日2016-07-28
公開日2016-10-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Crystal Structures of the Nuclear Receptor, Liver Receptor Homolog 1, Bound to Synthetic Agonists.
J. Biol. Chem., 291, 2016
8EYH
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BU of 8eyh by Molmil
SARS-CoV-2 spike protein bound with a nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ...
著者Laughlin, Z.T, Patel, A, Ortlund, E.A.
登録日2022-10-27
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献SARS-CoV-2 spike protein bound with nanobody
To Be Published
8F4P
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BU of 8f4p by Molmil
SARS-CoV-2 spike protein trimer (down conformation) bound with a nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-S1 Nanobody, ...
著者Laughlin, Z.T, Patel, A, Ortlund, E.A.
登録日2022-11-11
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献SARS-CoV-2 spike protein (down conformation) bound with a nanobody
To Be Published
4HN6
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BU of 4hn6 by Molmil
GR DNA Binding Domain R460D/D462R - TSLP nGRE Complex
分子名称: DNA (5'-D(*AP*GP*CP*TP*CP*TP*CP*CP*CP*GP*GP*AP*GP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*CP*TP*CP*CP*GP*GP*GP*AP*GP*AP*GP*CP*T)-3'), Glucocorticoid receptor, ...
著者Hudson, W.H, Youn, C.E, Ortlund, E.A.
登録日2012-10-18
公開日2012-12-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.549 Å)
主引用文献The structural basis of direct glucocorticoid-mediated transrepression.
Nat.Struct.Mol.Biol., 20, 2013
4HN5
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BU of 4hn5 by Molmil
GR DNA Binding Domain - TSLP nGRE Complex
分子名称: DNA (5'-D(*AP*GP*CP*TP*CP*TP*CP*CP*CP*GP*GP*AP*GP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*CP*TP*CP*CP*GP*GP*GP*AP*GP*AP*GP*CP*T)-3'), Glucocorticoid receptor, ...
著者Hudson, W.H, Youn, C.E, Ortlund, E.A.
登録日2012-10-18
公開日2012-12-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献The structural basis of direct glucocorticoid-mediated transrepression.
Nat.Struct.Mol.Biol., 20, 2013
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
6C1Z
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BU of 6c1z by Molmil
Crystal structure of Apo Caenorhabditis elegans lipid binding protein 8 (LBP-8)
分子名称: Lipid Binding Protein, SULFATE ION
著者Tillman, M.C, Ortlund, E.A.
登録日2018-01-05
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural characterization of life-extending Caenorhabditis elegans Lipid Binding Protein 8.
Sci Rep, 9, 2019
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
4DOS
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BU of 4dos by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2
分子名称: DIUNDECYL PHOSPHATIDYL CHOLINE, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2, ...
著者Musille, P.M, Ortlund, E.A.
登録日2012-02-10
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation.
Nat.Struct.Mol.Biol., 19, 2012
4E2J
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BU of 4e2j by Molmil
X-Ray Crystal Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with mometasone furoate and TIF-2 coactivator fragment
分子名称: Ancestral Glucocorticoid Receptor 2, FORMIC ACID, GLYCEROL, ...
著者Kohn, J.A, Deshpande, K, Ortlund, E.A.
登録日2012-03-08
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Deciphering Modern Glucocorticoid Cross-pharmacology Using Ancestral Corticosteroid Receptors.
J.Biol.Chem., 287, 2012
6VC2
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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
4DOR
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BU of 4dor by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1
分子名称: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0 group B member 2, Nuclear receptor subfamily 5 group A member 2
著者Musille, P.M, Ortlund, E.A.
登録日2012-02-10
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation.
Nat.Struct.Mol.Biol., 19, 2012
6W9L
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BU of 6w9l by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with deacetylated deflazacort and PGC1a coregulator fragment
分子名称: (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one, GLYCEROL, Glucocorticoid Receptor, ...
著者Liu, X, Ortlund, E.A.
登録日2020-03-23
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W9M
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BU of 6w9m by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with vamorolone and SHP coregulator fragment
分子名称: GLYCEROL, Glucocorticoid Receptor, Nuclear receptor subfamily 0 group B member 2, ...
著者Liu, X, Ortlund, E.A.
登録日2020-03-23
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VVQ
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BU of 6vvq by Molmil
Human START domain of Acyl-coenzyme A thioesterase 11 (ACOT11) bound to Myristic Acid
分子名称: Acyl-coenzyme A thioesterase 11, MYRISTIC ACID
著者Tillman, M.C, Ortlund, E.A.
登録日2020-02-18
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Allosteric regulation of thioesterase superfamily member 1 by lipid sensor domain binding fatty acids and lysophosphatidylcholine.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W9K
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BU of 6w9k by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with Prednisolone and PGC1a coregulator fragment
分子名称: GLYCEROL, Glucocorticoid Receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
著者Liu, X, Ortlund, E.A.
登録日2020-03-23
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment.
Proc.Natl.Acad.Sci.USA, 117, 2020

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