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PDB: 486 件
4IWF
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BU of 4iwf by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Oxime-derivative
分子名称: 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-23
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4ZNH
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BU of 4znh by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Fluoro-substituted OBHS derivative
分子名称: 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-04
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.933 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZN7
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BU of 4zn7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol
分子名称: DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-04
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.934 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5NI8
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BU of 5ni8 by Molmil
Ligand complex of RORg LBD
分子名称: 2-(4-ethylsulfonylphenyl)-~{N}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide, Nuclear receptor ROR-gamma, SODIUM ION, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2017-03-23
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
2P15
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BU of 2p15 by Molmil
Crystal structure of the ER alpha ligand binding domain with the agonist ortho-trifluoromethylphenylvinyl estradiol
分子名称: (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL, Estrogen receptor, GRIP peptide
著者Bruning, J.B, Nettles, K.W, Greene, G.L, Kim, Y.
登録日2007-03-02
公開日2007-05-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural plasticity in the oestrogen receptor ligand-binding domain.
Embo Rep., 8, 2007
9EZ1
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BU of 9ez1 by Molmil
Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3
分子名称: 1,4a,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ...
著者Rochel, N.
登録日2024-04-10
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study.
Biomolecules, 14, 2024
7NEC
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BU of 7nec by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM217
分子名称: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma
著者Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2021-02-03
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
6T4Y
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BU of 6t4y by Molmil
ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand MRL871
分子名称: 25-HYDROXYCHOLESTEROL, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, ...
著者de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2019-10-15
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
5VB3
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BU of 5vb3 by Molmil
X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide
分子名称: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
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 (1.95 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
4IVY
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BU of 4ivy by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a
分子名称: 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-23
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4P6W
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BU of 4p6w by Molmil
Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain
分子名称: Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2
著者He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
登録日2014-03-25
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
7OFI
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BU of 7ofi by Molmil
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]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2021-05-05
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
7WMH
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BU of 7wmh by Molmil
A novel chemical derivative(56) of THRB agonist
分子名称: 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
5E1C
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BU of 5e1c by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate
分子名称: Estrogen receptor, Nuclear receptor coactivator 2, dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-29
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4IW6
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BU of 4iw6 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b
分子名称: 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-23
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4WQP
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BU of 4wqp by Molmil
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
6J3N
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BU of 6j3n by Molmil
RORgammat LBD complexed with Ursonic Acid and SRC2.2
分子名称: (5beta)-3-oxours-12-en-28-oic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Nuclear receptor ROR-gamma
著者Liu, Z.H, Huang, J, Tang, Y.
登録日2019-01-05
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of human RORgammat LBD with SCR2.2 at 1.99 Angstroms resolution
To Be Published
6Q2W
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BU of 6q2w by Molmil
Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist
分子名称: (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma
著者Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L.
登録日2018-12-03
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
5TM8
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BU of 5tm8 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid
分子名称: 7-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-12
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6W9H
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BU of 6w9h by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
著者Sack, J.S.
登録日2020-03-23
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
6LIT
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BU of 6lit by Molmil
Estrogen-related receptor beta(ERR2) in complex with BPA
分子名称: 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2
著者Yao, B.Q, Li, Y.
登録日2019-12-13
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
4K4J
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BU of 4k4j by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9cUAB30 and the coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
著者Xia, G, Smith, C.D, Muccio, D.D.
登録日2013-04-12
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
5E0W
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BU of 5e0w by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol
分子名称: 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-29
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
8C1L
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BU of 8c1l by Molmil
Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
分子名称: 1,2-ETHANEDIOL, Hepatocyte nuclear factor 4-alpha, Nuclear receptor coactivator 2, ...
著者Ni, X, Merk, D, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-12-20
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
To Be Published
5Y1J
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BU of 5y1j by Molmil
Crystal structure of human FXR in complex with a functional drug ligand
分子名称: 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2017-07-20
公開日2018-10-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human FXR in complex with a functional drug liagnd
To Be Published

222415

件を2024-07-10に公開中

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