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3RVF
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FXR with SRC1 and GSK2034
分子名称: 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2011-05-06
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3RUU
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BU of 3ruu by Molmil
FXR with SRC1 and GSK237
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2011-05-05
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3DCT
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BU of 3dct by Molmil
FXR with SRC1 and GW4064
分子名称: 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3DCU
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BU of 3dcu by Molmil
FXR with SRC1 and GSK8062
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3RUT
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BU of 3rut by Molmil
FXR with SRC1 and GSK359
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2011-05-05
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
6B5N
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BU of 6b5n by Molmil
Structure of PfCSP peptide 25 with human protective antibody CIS43
分子名称: CIS43 Fab Heavy chain, CIS43 Fab Light chain, pfCSP peptide 25: ASN-VAL-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5O
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Structure of PfCSP peptide 29 with human protective antibody CIS43
分子名称: CIS43 Fab Heavy chain, CIS43 Fab Light chain, PfCSP peptide 29: ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5L
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BU of 6b5l by Molmil
Structure of PfCSP peptide 20 with human protective antibody CIS43
分子名称: CIS43 Fab Heavy chain, CIS43 Fab Light Chain, PfCSP peptide 20: ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5S
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BU of 6b5s by Molmil
Structure of PfCSP peptide 25 with human antibody CIS42
分子名称: AMMONIUM ION, CIS42 Fab Heavy chain, CIS42 Fab Light chain, ...
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2019-01-09
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5R
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BU of 6b5r by Molmil
Structure of PfCSP peptide 21 with human antibody CIS42
分子名称: CIS42 Fab Heavy chain, CIS42 Fab Light chain, PfCSP peptide 21: ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP-PRO-ASN
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5P
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BU of 6b5p by Molmil
Structure of PfCSP peptide 20 with human antibody CIS42
分子名称: CIS42 Fab Heavy chain, CIS42 Fab Light chain, pfCSP peptide 20: ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5M
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BU of 6b5m by Molmil
Structure of PfCSP peptide 21 with human protective antibody CIS43
分子名称: 1,2-ETHANEDIOL, CIS43 Fab Heavy chain, CIS43 Fab Light chain, ...
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5T
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BU of 6b5t by Molmil
Structure of PfCSP peptide 29 with human antibody CIS42
分子名称: AMMONIUM ION, CIS42 Fab Heavy chain, CIS42 Fab Light chain, ...
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.222 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
2I4Z
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BU of 2i4z by Molmil
Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). This structure has been obtained from crystals soaked for 6 hours.
分子名称: (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Mazza, F.
登録日2006-08-23
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007
2I4P
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BU of 2i4p by Molmil
Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). Structure obtained from crystals of the apo-form soaked for 30 days.
分子名称: (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Mazza, F.
登録日2006-08-22
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands.
J.Biol.Chem., 282, 2007
2I4J
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BU of 2i4j by Molmil
Crystal structure of the complex between PPARgamma and the agonist LT160 (ureidofibrate derivative)
分子名称: (2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Mazza, F.
登録日2006-08-22
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007
3B3K
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BU of 3b3k by Molmil
Crystal structure of the complex between PPARgamma and the full agonist LT175
分子名称: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C.
登録日2007-10-22
公開日2008-10-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
3D6D
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BU of 3d6d by Molmil
Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer)
分子名称: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R.
登録日2008-05-19
公開日2008-12-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
1G1U
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BU of 1g1u by Molmil
THE 2.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN IN TETRAMER IN THE ABSENCE OF LIGAND
分子名称: RETINOIC ACID RECEPTOR RXR-ALPHA
著者Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E.
登録日2000-10-13
公開日2001-04-25
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix.
Genes Dev., 14, 2000
1G5Y
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BU of 1g5y by Molmil
THE 2.0 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN TETRAMER IN THE PRESENCE OF A NON-ACTIVATING RETINOIC ACID ISOMER.
分子名称: RETINOIC ACID, RETINOIC ACID RECEPTOR RXR-ALPHA
著者Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E.
登録日2000-11-02
公開日2001-05-02
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix.
Genes Dev., 14, 2000
3HC5
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BU of 3hc5 by Molmil
FXR with SRC1 and GSK826
分子名称: 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2009-05-05
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3HC6
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BU of 3hc6 by Molmil
FXR with SRC1 and GSK088
分子名称: 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2009-05-05
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3FF6
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BU of 3ff6 by Molmil
Human ACC2 CT domain with CP-640186
分子名称: (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, Acetyl-CoA carboxylase 2
著者Williams, S.P, Madauss, K.P, Burkhart, W.A.
登録日2008-12-02
公開日2009-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The human ACC2 CT-domain C-terminus is required for full functionality and has a novel twist.
Acta Crystallogr.,Sect.D, 65, 2009
3GD2
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BU of 3gd2 by Molmil
isoxazole ligand bound to farnesoid X receptor (FXR)
分子名称: 3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, activator peptide
著者Madauss, K.P, Williams, S.P, Deaton, D.N, Wisely, G.B, Mcfadyen, R.B.
登録日2009-02-23
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064.
Bioorg.Med.Chem.Lett., 19, 2009
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