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PDB: 24 件

6SZF
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BU of 6szf by Molmil
Solution structure of the amyloid beta-peptide (1-42)
分子名称: Amyloid-beta precursor protein
著者Grimaldi, M, Santoro, A, Stillitano, I, Buonocore, M, D'Ursi, A.M.
登録日2019-10-02
公開日2020-10-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Exploring the Early Stages of the Amyloid A beta (1-42) Peptide Aggregation Process: An NMR Study.
Pharmaceuticals, 14, 2021
8CCT
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BU of 8cct by Molmil
Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A
分子名称: 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2
著者Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P.
登録日2023-01-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A
To Be Published
8CF9
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BU of 8cf9 by Molmil
Crystal structure of the human PXR ligand-binding domain in complex with sclareol
分子名称: GLYCEROL, Nuclear receptor subfamily 1 group I member 2, sclareol
著者Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W.
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the human PXR ligand-binding domain in complex with sclareol
To Be Published
8CH8
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BU of 8ch8 by Molmil
Crystal structure of the human PXR ligand-binding domain in complex with liranaftate
分子名称: Nuclear receptor subfamily 1 group I member 2, ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate
著者Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W.
登録日2023-02-07
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the human PXR ligand-binding domain in complex with liranaftate
To Be Published
7P5S
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BU of 7p5s by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 Lineages P.1 and B.1.351 S RBD 482-506 fragment in HFIP/H2O
分子名称: Spike glycoprotein
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5Q
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BU of 7p5q by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 Lineage B.1.1.7 S RBD 482-506 fragment in HFIP/H2O
分子名称: Spike glycoprotein
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P5G
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BU of 7p5g by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 S RBD 482-506 fragment in HFIP/H2O
分子名称: Spike glycoprotein
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P55
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BU of 7p55 by Molmil
NMR structure of human ACE2 21-42 fragment in HFIP/water 50/50 v/v
分子名称: Processed angiotensin-converting enzyme 2
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
6FTK
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BU of 6ftk by Molmil
Gp36-MPER
分子名称: Envelope protein
著者D'Ursi, A.M, Grimaldi, M.
登録日2018-02-22
公開日2019-03-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献NMR Structure of the FIV gp36 C-Terminal Heptad Repeat and Membrane-Proximal External Region.
Int J Mol Sci, 21, 2020
4TUZ
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BU of 4tuz by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol
分子名称: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, 1,2-ETHANEDIOL, Estrogen receptor, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2014-06-25
公開日2015-01-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol. Sin., 36, 2015
4TV1
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BU of 4tv1 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with propylparaben
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estrogen receptor, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2014-06-25
公開日2015-01-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol.Sin., 36, 2015
3UUD
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BU of 3uud by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with estradiol
分子名称: 1,2-ETHANEDIOL, ESTRADIOL, Estrogen receptor, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UU7
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BU of 3uu7 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A
分子名称: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen receptor, Nuclear receptor coactivator 1
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UUC
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BU of 3uuc by Molmil
Crystal structure of hERa-LBD (wt) in complex with bisphenol-C
分子名称: 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol, Estrogen receptor
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UUA
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BU of 3uua by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF
分子名称: 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 1
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
4MG8
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BU of 4mg8 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalanol
分子名称: 1,2-ETHANEDIOL, Estrogen receptor, GLYCEROL, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MGC
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BU of 4mgc by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with benzophenone-2
分子名称: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MGB
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BU of 4mgb by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with TCBPA
分子名称: 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Estrogen receptor, GLYCEROL, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MG9
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BU of 4mg9 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with butylparaben
分子名称: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MG7
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BU of 4mg7 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with ferutinine
分子名称: 1,2-ETHANEDIOL, Estrogen receptor, Nuclear receptor coactivator 1, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MGD
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BU of 4mgd by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with HPTE
分子名称: 1,2-ETHANEDIOL, 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol, Estrogen receptor, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MG6
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BU of 4mg6 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with benzylbutylphtalate
分子名称: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MGA
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BU of 4mga by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol
分子名称: 4-(2,4,4-trimethylpentan-2-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 1
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4MG5
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BU of 4mg5 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with chlordecone
分子名称: Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2013-08-28
公開日2014-09-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014

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