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PDB: 52 件
3B0T
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Human VDR ligand binding domain in complex with maxacalcitol
分子名称: (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Hishiki, A, Hashimoto, H, Sato, M, Shimizu, T.
登録日2011-06-14
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Human VDR ligand binding domain in complex with maxacalcitol
To be Published
3AZ3
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Crystal Structure Analysis of Vitamin D receptor
分子名称: (4S)-4-hydroxy-5-[4-(3-{4-[(3S)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid, Vitamin D3 receptor
著者Itoh, S, Iijima, S.
登録日2011-05-20
公開日2011-11-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis.
Bioorg.Med.Chem., 19, 2011
1IE9
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Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to MC1288
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, VITAMIN D3 RECEPTOR
著者Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D.
登録日2001-04-09
公開日2001-05-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands.
Proc.Natl.Acad.Sci.USA, 98, 2001
3A40
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Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277B(C23R)
分子名称: (1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2)
登録日2009-06-25
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3
J.Med.Chem., 53, 2010
3AZ1
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Crystal Structure Analysis of Vitamin D receptor
分子名称: Vitamin D3 receptor, {4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid
著者Itoh, S, Iijima, S.
登録日2011-05-20
公開日2011-11-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis.
Bioorg.Med.Chem., 19, 2011
7QPP
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High resolution structure of human VDR ligand binding domain in complex with calcitriol
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, SULFATE ION, Vitamin D3 receptor
著者Rochel, N.
登録日2022-01-05
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain.
J.Med.Chem., 65, 2022
1IE8
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Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060
分子名称: 5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR
著者Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D.
登録日2001-04-09
公開日2001-05-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands.
Proc.Natl.Acad.Sci.USA, 98, 2001
8IQN
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3
分子名称: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Vitamin D3 receptor
著者Kakuda, S.
登録日2023-03-17
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3
To Be Published
3AZ2
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Crystal Structure Analysis of Vitamin D receptor
分子名称: 5-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid, Vitamin D3 receptor
著者Itoh, S, Iijima, S.
登録日2011-05-20
公開日2011-11-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Novel nonsecosteroidal vitamin D(3) carboxylic acid analogs for osteoporosis, and SAR analysis.
Bioorg.Med.Chem., 19, 2011
3P8X
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Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18
分子名称: (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Rochel, N, Sato, Y, Moras, D.
登録日2010-10-15
公開日2011-08-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18
Chemmedchem, 6, 2011
3A3Z
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Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277A(C23S)
分子名称: (1S,2S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2)
登録日2009-06-25
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3
J.Med.Chem., 53, 2010
8IQT
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BU of 8iqt by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with (23R)-F-25(OH)D3
分子名称: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},4~{R})-4-fluoranyl-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Vitamin D3 receptor
著者Kakuda, S.
登録日2023-03-17
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献Crystal structure of the human vitamin D receptor ligand binding domain complexed with (23R)-F-25(OH)D3
To Be Published
3OGT
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BU of 3ogt by Molmil
Design, Chemical synthesis, Functional characterization and Crystal structure of the sidechain analogue of 1,25-dihydroxyvitamin D3.
分子名称: (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Huet, T, Fraga, R, Mourino, A, Moras, D, Rochel, N.
登録日2010-08-17
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design, Chemical synthesis, Functional characterization and Crystal structure of the sidechain analogue of 1,25-dihydroxyvitamin D3.
To be Published
3TKC
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Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains
分子名称: (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Huet, T, Moras, D, Rochel, N.
登録日2011-08-26
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains.
Chemistry, 18, 2012
1DB1
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CRYSTAL STRUCTURE OF THE NUCLEAR RECEPTOR FOR VITAMIN D COMPLEXED TO VITAMIN D
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, VITAMIN D NUCLEAR RECEPTOR
著者Rochel, N, Wurtz, J.M, Mitschler, A, Klaholz, B, Moras, D.
登録日1999-11-02
公開日2000-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of the nuclear receptor for vitamin D bound to its natural ligand.
Mol.Cell, 5, 2000
4G2I
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Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
分子名称: (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Vitamin D3 receptor
著者Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
登録日2012-07-12
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
3CS6
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Structure-based design of a superagonist ligand for the vitamin D nuclear receptor
分子名称: (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, Vitamin D3 receptor
著者Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, P, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D.
登録日2008-04-09
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
3W0A
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Crystal Structure Analysis of Vitamin D receptor
分子名称: (4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid, Vitamin D3 receptor
著者Itoh, S, Iijima, S.
登録日2012-10-25
公開日2013-11-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献structure analysis of vitamin D3 receptor
To be Published
3M7R
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Crystal structure of VDR H305Q mutant
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, Vitamin D3 receptor
著者Rochel, N, Hourai, S, Moras, D, Structural Proteomics in Europe (SPINE)
登録日2010-03-17
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of hereditary vitamin D-resistant rickets--associated mutant H305Q of vitamin D nuclear receptor bound to its natural ligand
J.Steroid Biochem.Mol.Biol., 121, 2010
2HB7
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Crystal structure of VDR LBD in complex with 2alpha(3-hydroxy-1-propyl) calcitriol
分子名称: 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
著者Hourai, S, Rochel, N, Moras, D.
登録日2006-06-14
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
5GT4
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol
分子名称: 4-{[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile, Vitamin D3 receptor
著者Takimoto-Kamimura, M.
登録日2016-08-18
公開日2016-11-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol
To Be Published
1TXI
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Crystal structure of the vdr ligand binding domain complexed to TX522
分子名称: (1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL, Vitamin D receptor
著者Moras, D, Rochel, N.
登録日2004-07-05
公開日2005-05-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Superagonistic Action of 14-epi-Analogs of 1,25-Dihydroxyvitamin D Explained by Vitamin D Receptor-Coactivator Interaction
Mol.Pharmacol., 67, 2005
3KPZ
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Crystal structure of a novel vitamin D3 analogue, ZK203278 showing dissociated profile
分子名称: (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol, Vitamin D3 receptor
著者Rochel, N, Moras, D.
登録日2009-11-17
公開日2011-10-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a vitamin D3 analog, ZK203278, showing dissociated profile.
Anticancer Res., 32, 2012
3W0C
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Crystal Structure Analysis of Vitamin D receptor
分子名称: (4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid, Vitamin D3 receptor
著者Itoh, S, Iijima, S.
登録日2012-10-29
公開日2013-11-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献structure analysis of vitamin D receptor
To be Published
2HAM
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Crystal structure of VDR LBD complexed to 2alpha-propyl-calcitriol
分子名称: 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
著者Hourai, S, Rochel, N, Moras, D.
登録日2006-06-13
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006

 

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