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4S0T
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STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND WITH ADNECTIN-1 AND COMPOUND-1
分子名称: Adnectin-1, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2
著者Khan, J.A, Camac, D.M.
登録日2015-01-05
公開日2015-02-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
4S0S
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BU of 4s0s by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN with ADNECTIN-1
分子名称: Adnectin-1, Nuclear receptor subfamily 1 group I member 2
著者Khan, J.A.
登録日2015-01-05
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
4RZF
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BU of 4rzf by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4RZE
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BU of 4rze by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4RZG
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Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
著者Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4XAO
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BU of 4xao by Molmil
Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-12-15
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
4XAI
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Crystal Structure of red flour beetle NR2E1/TLX
分子名称: Grunge, isoform J, Maltose-binding periplasmic protein,Tailless ortholog, ...
著者Zhi, X, Zhou, E, Xu, E.
登録日2014-12-14
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
4XAJ
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Crystal structure of human NR2E1/TLX
分子名称: Atrophin/grunge, Maltose-binding periplasmic protein,Nuclear receptor subfamily 2 group E member 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhi, X, Zhou, E, Xu, E.
登録日2014-12-14
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.551 Å)
主引用文献Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
4UDD
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GR in complex with desisobutyrylciclesonide
分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ...
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 (1.8 Å)
主引用文献Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDC
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GR in complex with dexamethasone
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DEXAMETHASONE, GLUCOCORTICOID 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 (2.5 Å)
主引用文献Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDB
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MR in complex with desisobutyrylciclesonide
分子名称: DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, 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 (2.36 Å)
主引用文献Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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
4RWV
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BU of 4rwv by Molmil
Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1, NR5A2) in complex with a co-regulator DAX-1 (NR0B1) peptide at 1.86 A resolution
分子名称: (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology, Partnership for Stem Cell Biology (STEMCELL)
登録日2014-12-05
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Crystal structure of a Homo sapiens hepatocytic transcription factor hB1F-2 (B1F2) in complex with nuclear receptor subfamily 0 group B member 1 (NR0B1, residues 140-154) from human at 1.86 A resolution
To be published
4X1G
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BU of 4x1g by Molmil
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ...
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-11-24
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
4X1F
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Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-11-24
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
4RUO
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BU of 4ruo by Molmil
Crystal structure of zVDR L337H mutant-gemini complex
分子名称: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
著者Huet, T, Moras, D, Rochel, N.
登録日2014-11-21
公開日2015-10-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
4RUP
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BU of 4rup by Molmil
Crystal structure of zVDR L337H mutant-Gemini72 complex
分子名称: (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Huet, T, Moras, D, Rochel, N.
登録日2014-11-21
公開日2015-10-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
4RUJ
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Crystal structure of zVDR L337H mutant-VD complex
分子名称: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Huet, T, Moras, D, Rochel, N.
登録日2014-11-20
公開日2015-10-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
3X1H
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BU of 3x1h by Molmil
hPPARgamma Ligand binding domain in complex with 5-oxo-tricosahexaenoic acid
分子名称: (7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid, Peroxisome proliferator-activated receptor gamma
著者Egawa, D, Itoh, T, Yamamoto, K.
登録日2014-11-18
公開日2015-04-08
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids.
Bioconjug.Chem., 26, 2015
3X1I
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hPPARgamma Ligand binding domain in complex with 6-oxo-tetracosahexaenoic acid
分子名称: (8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid, Peroxisome proliferator-activated receptor gamma
著者Egawa, D, Itoh, T, Yamamoto, K.
登録日2014-11-18
公開日2015-04-08
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids.
Bioconjug.Chem., 26, 2015
4WVD
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BU of 4wvd by Molmil
Identification of a novel FXR ligand that regulates metabolism
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ...
著者Wang, R, Li, Y.
登録日2014-11-05
公開日2015-02-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
4WQP
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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
4RME
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BU of 4rme by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Muccio, D.D.
登録日2014-10-21
公開日2015-09-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4RMD
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Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Muccio, D.D.
登録日2014-10-21
公開日2015-09-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4RMC
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Crystal Structure of human retinoid X receptor alpha-ligand binding domain complex with 9cUAB76 and the coactivator peptide GRIP-1
分子名称: (3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Muccio, D.D.
登録日2014-10-21
公開日2015-09-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015

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