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PDB: 434 件
5X8U
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BU of 5x8u by Molmil
Crystal Structure of the wild Human ROR gamma Ligand Binding Domain.
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1
著者Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
3OKI
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BU of 3oki by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
分子名称: (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
著者Rudolph, M.G.
登録日2010-08-25
公開日2010-12-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
5Q12
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BU of 5q12 by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: 2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q1G
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BU of 5q1g by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: (2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5L7G
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BU of 5l7g by Molmil
MCR IN COMPLEX WITH ligand
分子名称: 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ...
著者Edman, K, Aagaard, A, Backstrom, S, Xue, Y.
登録日2016-06-03
公開日2016-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
3FEJ
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BU of 3fej by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
分子名称: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1
著者Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Kuhn, B, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M.
登録日2008-11-30
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Ma, Y.L, Yang, L.Q.
登録日2013-11-06
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
4UDA
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BU of 4uda by Molmil
MR in complex with dexamethasone
分子名称: DEXAMETHASONE, GLYCEROL, MINERALOCORTICOID RECEPTOR, ...
著者Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
登録日2014-12-09
公開日2015-11-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
5VB6
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X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
分子名称: N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
著者Li, X.
登録日2017-03-28
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
3UUA
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BU of 3uua by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF
分子名称: 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 1
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
4MG5
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BU of 4mg5 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with chlordecone
分子名称: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
5K38
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BU of 5k38 by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
分子名称: Nuclear receptor ROR-gamma
著者Lu, J, Rastinejad, F.
登録日2016-05-19
公開日2017-05-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
To be published
3OMP
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BU of 3omp by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
分子名称: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
登録日2010-08-27
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
5UFR
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BU of 5ufr by Molmil
Structure of RORgt bound to
分子名称: (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol, Nuclear receptor ROR-gamma
著者Spurlino, J, Abad, M.
登録日2017-01-05
公開日2017-04-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.068 Å)
主引用文献Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
5G45
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BU of 5g45 by Molmil
Ligand complex of RORg LBD
分子名称: 8-AMINO-3-QUINOLINOL, DIMETHYL SULFOXIDE, NUCLEAR RECEPTOR ROR-GAMMA, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
7XVZ
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BU of 7xvz by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-25
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
5C4U
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BU of 5c4u by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
著者Parthasarathy, G, Soisson, S.
登録日2015-06-18
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5APJ
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BU of 5apj by Molmil
Ligand complex of RORg LBD
分子名称: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2015-09-16
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
7LUK
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BU of 7luk by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH AN AZATRICYCLIC RORGT INVERSE AGONIST
分子名称: (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2021-02-22
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Azatricyclic Inverse Agonists of ROR gamma t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis.
Acs Med.Chem.Lett., 12, 2021
7BPY
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BU of 7bpy by Molmil
X-ray structure of human PPARalpha ligand binding domain-clofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 2-(4-chloranylphenoxy)-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
登録日2020-03-23
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
5NKY
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BU of 5nky by Molmil
Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain
分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2017-04-03
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
3H0A
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BU of 3h0a by Molmil
Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist
分子名称: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 1, Co-activator Peptide, ...
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2009-04-08
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3HVL
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BU of 3hvl by Molmil
Tethered PXR-LBD/SRC-1p complexed with SR-12813
分子名称: Pregnane X receptor, Linker, Steroid receptor coactivator 1, ...
著者Lesburg, C.A, Wang, W, Prosise, W.W, Chen, J, Taremi, S.S, Le, H.V, Madison, V, Cui, X, Thomas, A, Cheng, K.C.
登録日2009-06-16
公開日2009-08-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Construction and characterization of a fully active PXR/SRC-1 tethered protein with increased stability
Protein Eng.Des.Sel., 21, 2008
7YFK
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BU of 7yfk by Molmil
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
1N4H
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BU of 1n4h by Molmil
Characterization of ligands for the orphan nuclear receptor RORbeta
分子名称: Nuclear Receptor ROR-beta, RETINOIC ACID, Steroid Receptor Coactivator-1
著者Stehlin-Gaon, C, Willmann, D, Sanglier, S, Van Dorsselaer, A, Renaud, J.-P, Moras, D, Schuele, R.
登録日2002-10-31
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献All-trans retinoic acid is a ligand for the orphan nuclear receptor RORbeta
Nat.Struct.Biol., 10, 2003

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