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4QYX
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BU of 4qyx by Molmil
Crystal structure of YDR533Cp
分子名称: Probable chaperone protein HSP31
著者Wilson, M.A, Amour, S.T, Collins, J.L, Ringe, D, Petsko, G.A.
登録日2014-07-26
公開日2014-08-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The 1.8-A resolution crystal structure of YDR533Cp from Saccharomyces cerevisiae: A member of the DJ-1/ThiJ/PfpI superfamily.
Proc.Natl.Acad.Sci.USA, 101, 2004
3FAL
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BU of 3fal by Molmil
humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186
分子名称: 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
著者Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L.
登録日2008-11-17
公開日2009-04-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
1P8D
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BU of 1p8d by Molmil
X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol
分子名称: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3
著者Williams, S, Bledsoe, R.K, Collins, J.L, Boggs, S, Lambert, M.H, Miller, A.B, Moore, J, McKee, D.D, Moore, L, Nichols, J, Parks, D, Watson, M, Wisely, B, Willson, T.M.
登録日2003-05-06
公開日2003-07-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003
1P5F
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BU of 1p5f by Molmil
Crystal Structure of Human DJ-1
分子名称: RNA-binding protein regulatory subunit
著者Wilson, M.A, Collins, J.L, Hod, Y, Ringe, D, Petsko, G.A.
登録日2003-04-26
公開日2003-08-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The 1.1 A resolution crystal structure of DJ-1, the protein mutated in autosomal recessive early onset Parkinson's disease
Proc.Natl.Acad.Sci.USA, 100, 2003
1K74
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BU of 1k74 by Molmil
The 2.3 Angstrom resolution crystal structure of the heterodimer of the human PPARgamma and RXRalpha ligand binding domains respectively bound with GW409544 and 9-cis retinoic acid and co-activator peptides.
分子名称: (9cis)-retinoic acid, 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator activated receptor gamma, ...
著者Xu, H.E, Lambert, M.H, Montana, V.G, Moore, L.B, Collins, J.L, Oplinger, J.A, Kliewer, S.A, Gampe Jr, R.T, McKee, D.D, Moore, J.T, Willson, T.M.
登録日2001-10-18
公開日2001-12-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K7L
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BU of 1k7l by Molmil
The 2.5 Angstrom resolution crystal structure of the human PPARalpha ligand binding domain bound with GW409544 and a co-activator peptide.
分子名称: 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator activated receptor alpha, YTTRIUM (III) ION, ...
著者Xu, H.E, Lambert, M.H, Montana, V.G, Moore, L.B, Collins, J.L, Oplinger, J.A, Kliewer, S.A, Gampe Jr, R.T, McKee, D.D, Moore, J.T, Willson, T.M.
登録日2001-10-19
公開日2001-12-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proc.Natl.Acad.Sci.USA, 98, 2001
4UP4
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BU of 4up4 by Molmil
Structure of the recombinant lectin PVL from Psathyrella velutina in complex with GlcNAcb-D-1,3Galactoside
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ...
著者Audfray, A, Beljoudi, M, Hurbin, A, Varrot, A, Breiman, A, Busser, B, Lependu, J, Coll, J.L, Imberty, A.
登録日2014-06-12
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Recombinant Fungal Lectin for Labeling Truncated Glycans on Human Cancer Cells.
Plos One, 10, 2015
4PRG
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BU of 4prg by Molmil
0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL
分子名称: (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA)
著者Milburn, M.V.
登録日1999-05-07
公開日1999-05-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation.
Proc.Natl.Acad.Sci.USA, 96, 1999
3L0E
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BU of 3l0e by Molmil
X-ray crystal structure of a Potent Liver X Receptor Modulator
分子名称: N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta
著者Gampe Jr, R.T.
登録日2009-12-09
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of tertiary sulfonamides as potent liver X receptor antagonists.
J.Med.Chem., 53, 2010
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
3CDP
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BU of 3cdp by Molmil
Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid
分子名称: (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F.
登録日2008-02-27
公開日2009-01-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists
Bioorg.Med.Chem., 20, 2012
3CDS
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BU of 3cds by Molmil
Crystal structure of the complex between PPAR-gamma and the agonist LT248 (clofibric acid analogue)
分子名称: (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F.
登録日2008-02-27
公開日2008-12-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 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
2EWP
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BU of 2ewp by Molmil
Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domaind with tamoxifen analog GSK5182
分子名称: (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL, Estrogen-related receptor gamma
著者Nolte, R.T.
登録日2005-11-04
公開日2006-05-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma.
Bioorg.Med.Chem.Lett., 16, 2006
1ILG
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BU of 1ilg by Molmil
Crystal Structure of Apo Human Pregnane X Receptor Ligand Binding Domain
分子名称: ORPHAN NUCLEAR RECEPTOR PXR
著者Watkins, R.E, Redinbo, M.R.
登録日2001-05-08
公開日2001-06-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
1OJH
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BU of 1ojh by Molmil
Crystal structure of NblA from PCC 7120
分子名称: 1,2-ETHANEDIOL, NBLA
著者Bienert, R, Baier, K, Lockau, W, Heinemann, U.
登録日2003-07-10
公開日2004-07-15
最終更新日2011-08-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Nbla from Anabaena Sp. Pcc 7120, a Small Protein Playing a Key Role in Phycobilisome Degradation.
J.Biol.Chem., 281, 2006
1ILH
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BU of 1ilh by Molmil
Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813
分子名称: ORPHAN NUCLEAR RECEPTOR PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
著者Watkins, R.E, Redinbo, M.R.
登録日2001-05-08
公開日2001-06-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
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
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
1XVP
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BU of 1xvp by Molmil
crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO
分子名称: 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
著者Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
登録日2004-10-28
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
1XV9
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BU of 1xv9 by Molmil
crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione.
分子名称: (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
著者Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
登録日2004-10-27
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
2ACL
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BU of 2acl by Molmil
Liver X-Receptor alpha Ligand Binding Domain with SB313987
分子名称: 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
著者Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J.
登録日2005-07-19
公開日2005-09-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure.
J.Med.Chem., 48, 2005
1SKX
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BU of 1skx by Molmil
Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin
分子名称: Orphan nuclear receptor PXR, RIFAMPICIN
著者Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R.
登録日2004-03-05
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
2O9I
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BU of 2o9i by Molmil
Crystal Structure of the Human Pregnane X Receptor LBD in complex with an SRC-1 coactivator peptide and T0901317
分子名称: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear Receptor Coactivator 1 isoform 3, Orphan nuclear receptor PXR
著者Xue, Y, Redinbo, M.R.
登録日2006-12-13
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the PXR-T1317 complex provides a scaffold to examine the potential for receptor antagonism.
Bioorg.Med.Chem., 15, 2007
1SOA
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BU of 1soa by Molmil
Human DJ-1 with sulfinic acid
分子名称: RNA-binding protein regulatory subunit; oncogene DJ1
著者Canet-Aviles, R, Wilson, M.A, Miller, D.W, Ahmad, R, McLendon, C, Bandyopadhyay, S, Baptista, M.J, Ringe, D, Petsko, G.A, Cookson, M.R.
登録日2004-03-13
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The Parkinson's disease protein DJ-1 is neuroprotective due to cysteine-sulfinic acid-driven mitochondrial localization.
Proc.Natl.Acad.Sci.USA, 101, 2004

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