Author results

1DB1
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CRYSTAL STRUCTURE OF THE NUCLEAR RECEPTOR FOR VITAMIN D COMPLEXED TO VITAMIN D
Descriptor:VITAMIN D NUCLEAR RECEPTOR, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
Authors:Rochel, N., Wurtz, J.M., Mitschler, A., Klaholz, B., Moras, D.
Deposit date:1999-11-02
Release date:2000-01-31
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of the nuclear receptor for vitamin D bound to its natural ligand.
Mol.Cell, 5, 2000
2HBH
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CRYSTAL STRUCTURE OF VITAMIN D NUCLEAR RECEPTOR LIGAND BINDING DOMAIN BOUND TO A LOCKED SIDE-CHAIN ANALOG OF CALCITRIOL AND SRC-1 PEPTIDE
Descriptor:Vitamin D receptor, SRC-1 from Nuclear receptor coactivator 1, 1,3-CYCLOHEXANEDIOL, ...
Authors:Rochel, N., Hourai, S., Moras, D.
Deposit date:2006-06-14
Release date:2007-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the vitamin D nuclear receptor ligand binding domain in complex with a locked side chain analog of calcitriol
Arch.Biochem.Biophys., 460, 2007
3KPZ
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CRYSTAL STRUCTURE OF A NOVEL VITAMIN D3 ANALOGUE, ZK203278 SHOWING DISSOCIATED PROFILE
Descriptor:Vitamin D3 receptor, (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
Authors:Rochel, N., Moras, D.
Deposit date:2009-11-17
Release date:2011-10-12
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a vitamin D3 analog, ZK203278, showing dissociated profile.
Anticancer Res., 32, 2012
3M7R
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CRYSTAL STRUCTURE OF VDR H305Q MUTANT
Descriptor:Vitamin D3 receptor, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
Authors:Rochel, N., Hourai, S., Moras, D., Structural Proteomics in Europe (SPINE)
Deposit date:2010-03-17
Release date:2010-05-05
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
6FZF
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PPAR MUTANT COMPLEX
Descriptor:Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
Authors:Rochel, N.
Deposit date:2018-03-14
Release date:2019-02-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZG
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PPAR GAMMA MUTANT COMPLEX
Descriptor:Peroxisome proliferator-activated receptor gamma, (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION
Authors:Rochel, N.
Deposit date:2018-03-14
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZJ
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PPAR GAMMA MUTANT COMPLEX
Descriptor:Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, ...
Authors:Rochel, N.
Deposit date:2018-03-14
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZP
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PPAR GAMMA COMPLEX
Descriptor:Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, ...
Authors:Rochel, N., Beji, S.
Deposit date:2018-03-15
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZY
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PPAR MUTANT
Descriptor:Peroxisome proliferator-activated receptor gamma
Authors:Rochel, N.
Deposit date:2018-03-15
Release date:2019-02-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
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
Descriptor:Vitamin D3 receptor, (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
Authors:Rochel, N., Sato, Y., Moras, D.
Deposit date:2010-10-15
Release date:2011-08-31
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18
Chemmedchem, 6, 2011
4ZSH
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RXR LBD IN COMPLEX WITH 9-CIS-13,14-DIHYDRORETINOIC ACID
Descriptor:Retinoic acid receptor RXR-alpha, NCoA2 peptide, (5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid
Authors:Rochel, N., Krezel, W., Ruhl, R.
Deposit date:2015-05-13
Release date:2016-03-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:9-cis-13,14-Dihydroretinoic Acid Is an Endogenous Retinoid Acting as RXR Ligand in Mice.
Plos Genet., 11, 2015
5M24
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RARG MUTANT-S371E
Descriptor:Retinoic acid receptor gamma, (9cis)-retinoic acid, DODECYL-ALPHA-D-MALTOSIDE, ...
Authors:Rochel, N., Sirigu, S.
Deposit date:2016-10-11
Release date:2017-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid Receptor gamma.
PLoS ONE, 12, 2017
5MX7
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1A,20S-DIHYDROXYVITAMIN D3 VDR COMPLEX
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, 1a,20S-dihydroxyvitamin D3
Authors:Rochel, N., Belorusova, A.Y.
Deposit date:2017-01-21
Release date:2017-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:1 alpha,20S-Dihydroxyvitamin D3 Interacts with Vitamin D Receptor: Crystal Structure and Route of Chemical Synthesis.
Sci Rep, 7, 2017
5NKY
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STRUCTURE-ACTIVITY RELATIONSHIP STUDY OF VITAMIN D ANALOGS WITH OXOLANE GROUP IN THEIR SIDE CHAIN
Descriptor:Vitamin D3 receptor A, SRC1, (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Authors:Rochel, N., Belorusova, A.Y.
Deposit date:2017-04-03
Release date:2017-05-24
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
5NMA
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STRUCTURE-ACTIVITY RELATIONSHIP STUDY OF VITAMIN D ANALOGS WITH OXOLANE GROUP IN THEIR SIDE CHAIN
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Authors:Rochel, N., Belorusova, A.Y.
Deposit date:2017-04-05
Release date:2017-05-24
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
5NMB
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STRUCTURE-ACTIVITY RELATIONSHIP STUDY OF VITAMIN D ANALOGS WITH OXOLANE GROUP IN THEIR SIDE CHAIN
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Authors:Rochel, N., Belorusova, A.Y.
Deposit date:2017-04-05
Release date:2017-05-24
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
5OW7
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VDR COMPLEX
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide
Authors:Rochel, N., Li, W.
Deposit date:2017-08-31
Release date:2018-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
5OW9
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VITAMIN D RECEPTOR COMPLEX
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
Authors:Rochel, N., Li, W.
Deposit date:2017-08-31
Release date:2018-02-07
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
5OWD
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VITAMIN D RECEPTOR COMPLEX
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
Authors:Rochel, N., Li, W.
Deposit date:2017-08-31
Release date:2018-02-07
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
6FO7
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VITAMIN D NUCLEAR RECEPTOR COMPLEX 3
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol
Authors:Rochel, N.
Deposit date:2018-02-06
Release date:2018-05-16
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
6FO8
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VITAMIN D NUCLEAR RECEPTOR COMPLEX 4
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol
Authors:Rochel, N.
Deposit date:2018-02-06
Release date:2018-05-16
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
6FO9
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VITAMIN D NUCLEAR RECEPTOR COMPLEX 2
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol
Authors:Rochel, N.
Deposit date:2018-02-06
Release date:2018-05-16
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
6FOB
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VITAMIN D RECEPTOR COMPLEX 5
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol
Authors:Rochel, N.
Deposit date:2018-02-06
Release date:2018-05-16
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
6FOD
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VITAMIN D NUCLEAR RECEPTOR COMPLEX 1
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
Authors:Rochel, N.
Deposit date:2018-02-07
Release date:2018-05-16
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
3A9E
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CRYSTAL STRUCTURE OF A MIXED AGONIST-BOUND RAR-ALPHA AND ANTAGONIST-BOUND RXR-ALPHA HETERODIMER LIGAND BINDING DOMAINS
Descriptor:Retinoic acid receptor RXR-alpha, Retinoic acid receptor alpha, 13-mer (LXXLL motif) from Nuclear receptor coactivator 2, ...
Authors:Sato, Y., Duclaud, S., Peluso-Iltis, C., Poussin, P., Moras, D., Rochel, N., Structural Proteomics in Europe (SPINE)
Deposit date:2009-10-24
Release date:2010-10-06
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Phantom Effect of the Rexinoid LG100754: structural and functional insights
Plos One, 5, 2010