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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
Descriptor: 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
Authors:Khan, J.A, Camac, D.M.
Deposit date:2015-01-05
Release date:2015-02-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.14 Å)
Cite: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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STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN with ADNECTIN-1
Descriptor: Adnectin-1, Nuclear receptor subfamily 1 group I member 2
Authors:Khan, J.A.
Deposit date:2015-01-05
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4RZG
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BU of 4rzg by Molmil
Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
Authors:Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
Authors:Delfosse, V, Huet, T, Bourguet, W.
Deposit date:2014-12-15
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
4XAI
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BU of 4xai by Molmil
Crystal Structure of red flour beetle NR2E1/TLX
Descriptor: Grunge, isoform J, Maltose-binding periplasmic protein,Tailless ortholog, ...
Authors:Zhi, X, Zhou, E, Xu, E.
Deposit date:2014-12-14
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
4XAJ
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BU of 4xaj by Molmil
Crystal structure of human NR2E1/TLX
Descriptor: Atrophin/grunge, Maltose-binding periplasmic protein,Nuclear receptor subfamily 2 group E member 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhi, X, Zhou, E, Xu, E.
Deposit date:2014-12-14
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.551 Å)
Cite:Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
4UDD
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BU of 4udd by Molmil
GR in complex with desisobutyrylciclesonide
Descriptor: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ...
Authors: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.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDC
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BU of 4udc by Molmil
GR in complex with dexamethasone
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DEXAMETHASONE, GLUCOCORTICOID RECEPTOR, ...
Authors: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.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDB
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BU of 4udb by Molmil
MR in complex with desisobutyrylciclesonide
Descriptor: DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite: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
Descriptor: DEXAMETHASONE, GLYCEROL, MINERALOCORTICOID RECEPTOR, ...
Authors: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.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite: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
Descriptor: (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, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology, Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-12-05
Release date:2015-01-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.859 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ...
Authors:Delfosse, V, Huet, T, Bourguet, W.
Deposit date:2014-11-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
4X1F
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BU of 4x1f by Molmil
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2
Authors:Delfosse, V, Huet, T, Bourguet, W.
Deposit date:2014-11-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
Authors:Huet, T, Moras, D, Rochel, N.
Deposit date:2014-11-21
Release date:2015-10-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.805 Å)
Cite: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
Descriptor: (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
Authors:Huet, T, Moras, D, Rochel, N.
Deposit date:2014-11-21
Release date:2015-10-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
4RUJ
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BU of 4ruj by Molmil
Crystal structure of zVDR L337H mutant-VD complex
Descriptor: 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
Authors:Huet, T, Moras, D, Rochel, N.
Deposit date:2014-11-20
Release date:2015-10-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.352 Å)
Cite: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
Descriptor: (7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Egawa, D, Itoh, T, Yamamoto, K.
Deposit date:2014-11-18
Release date:2015-04-08
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids.
Bioconjug.Chem., 26, 2015
3X1I
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BU of 3x1i by Molmil
hPPARgamma Ligand binding domain in complex with 6-oxo-tetracosahexaenoic acid
Descriptor: (8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Egawa, D, Itoh, T, Yamamoto, K.
Deposit date:2014-11-18
Release date:2015-04-08
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: (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, ...
Authors:Wang, R, Li, Y.
Deposit date:2014-11-05
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
4WQP
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BU of 4wqp by Molmil
Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist
Descriptor: N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma, SULFATE ION, ...
Authors:Boenig, G, Hymowitz, S.G.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: (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
Authors:Xia, G, Muccio, D.D.
Deposit date:2014-10-21
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4RMD
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BU of 4rmd by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1
Descriptor: (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
Authors:Xia, G, Muccio, D.D.
Deposit date:2014-10-21
Release date:2015-09-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4RMC
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BU of 4rmc by Molmil
Crystal Structure of human retinoid X receptor alpha-ligand binding domain complex with 9cUAB76 and the coactivator peptide GRIP-1
Descriptor: (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
Authors:Xia, G, Muccio, D.D.
Deposit date:2014-10-21
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015

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數據於2024-07-10公開中

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