Author results

2HC4
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CRYSTAL STRUCTURE OF THE LBD OF VDR OF DANIO RERIO IN COMPLEX WITH CALCITRIOL
Descriptor:Vitamin D receptor, SRC-1 from Nuclear receptor coactivator 1, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
Authors:Ciesielski, F., Rochel, N., Moras, D.
Deposit date:2006-06-15
Release date:2007-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation
J.Steroid Biochem.Mol.Biol., 103, 2007
2HCD
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CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF THE VITAMIN D NUCLEAR RECEPTOR IN COMPLEX WITH GEMINI AND A COACTIVATOR PEPTIDE
Descriptor:Vitamin D receptor, SRC-1 from Nuclear receptor coactivator 1, 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, ...
Authors:Ciesielski, F., Rochel, N., Moras, D.
Deposit date:2006-06-16
Release date:2007-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation
J.Steroid Biochem.Mol.Biol., 103, 2007
4G1D
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STRUCTURAL BASIS FOR THE ACCOMMODATION OF BIS- AND TRIS-AROMATIC DERIVATIVES IN VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
Authors:Ciesielski, F., Sato, Y., Moras, D., Rochel, N.
Deposit date:2012-07-10
Release date:2012-09-26
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G1Y
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STRUCTURAL BASIS FOR THE ACCOMMODATION OF BIS- AND TRIS-AROMATIC DERIVATIVES IN VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol
Authors:Ciesielski, F., Sato, Y., Moras, D., Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G1Z
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STRUCTURAL BASIS FOR THE ACCOMMODATION OF BIS- AND TRIS-AROMATIC DERIVATIVES IN VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
Authors:Ciesielski, F., Sato, Y., Moras, D., Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G20
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STRUCTURAL BASIS FOR THE ACCOMMODATION OF BIS- AND TRIS-AROMATIC DERIVATIVES IN VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
Authors:Ciesielski, F., Sato, Y., Moras, D., Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G21
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STRUCTURAL BASIS FOR THE ACCOMMODATION OF BIS- AND TRIS-AROMATIC DERIVATIVES IN VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
Authors:Ciesielski, F., Sato, Y., Moras, D., Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G2H
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STRUCTURAL BASIS FOR THE ACCOMMODATION OF BIS- AND TRIS-AROMATIC DERIVATIVES IN VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
Authors:Ciesielski, F., Sato, Y., Moras, D., Rochel, N.
Deposit date:2012-07-12
Release date:2012-09-26
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G2I
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STRUCTURAL BASIS FOR THE ACCOMMODATION OF BIS- AND TRIS-AROMATIC DERIVATIVES IN VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor, (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
Authors:Ciesielski, F., Sato, Y., Moras, D., Rochel, N.
Deposit date:2012-07-12
Release date:2012-09-26
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
5NF9
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STRUCTURE OF GALECTIN-3 CRD IN COMPLEX WITH COMPOUND 2
Descriptor:Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
Authors:Ronin, C., Atmanene, C., Gautier, F.M., Djedaini Pilard, F., Teletchea, S., Ciesielski, F., Vivat Hannah, V., Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
5NFA
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STRUCTURE OF GALECTIN-3 CRD IN COMPLEX WITH COMPOUND 3
Descriptor:Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]ethanamide
Authors:Ronin, C., Atmanene, C., Gautier, F.M., Djedaini Pilard, F., Teletchea, S., Ciesielski, F., Vivat Hannah, V., Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
5NFB
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STRUCTURE OF GALECTIN-3 CRD IN COMPLEX WITH COMPOUND 4
Descriptor:Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
Authors:Ronin, C., Atmanene, C., Gautier, F.M., Djedaini Pilard, F., Teletchea, S., Ciesielski, F., Vivat Hannah, V., Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
5NFC
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STRUCTURE OF GALECTIN-3 CRD IN COMPLEX WITH GLYCEROL
Descriptor:Galectin-3, GLYCEROL
Authors:Ronin, C., Atmanene, C., Gautier, F.M., Djedaini Pilard, F., Teletchea, S., Ciesielski, F., Vivat Hannah, V., Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
5NF7
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STRUCTURE OF GALECTIN-3 CRD IN COMPLEX WITH COMPOUND 1
Descriptor:Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]ethanamide
Authors:Ronin, C., Atmanene, C., Gautier, F.M., Pilard, F.D., Teletchea, S., Ciesielski, F., Hannah, V.V., Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
3CS4
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STRUCTURE-BASED DESIGN OF A SUPERAGONIST LIGAND FOR THE VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor, (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol
Authors:Hourai, S., Rodriguez, L.C., Antony, P., Reina-San-Martin, B., Ciesielski, F., Magnier, B.C., Schoonjans, K., Mourino, A., Rochel, N., Moras, D.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
4P7E
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TRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE JAK1 INHIBITORS: FROM HIT IDENTIFICATION TO GLPG0634
Descriptor:Tyrosine-protein kinase JAK2, N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
Authors:Menet, C.C.J., Fletcher, S., Van Lommen, G., Geney, R., Blanc, J., Smits, K., Jouannigot, N., van der Aar, E.M., Clement-Lacroix, P., Lepescheux, L., Galien, R., Vayssiere, B., Nelles, L., Christophe, T., Brys, R., Uhring, M., Ciesielski, F., Van Rompaey, L.
Deposit date:2014-03-27
Release date:2014-11-19
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Triazolopyridines as Selective JAK1 Inhibitors: From Hit Identification to GLPG0634.
J.Med.Chem., 57, 2014
5LWP
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DISCOVERY OF PHENOXYINDAZOLES AND PHENYLTHIOINDAZOLES AS RORG INVERSE AGONISTS
Descriptor:Nuclear receptor ROR-gamma, 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid
Authors:Ouvry, G., Bouix-Peter, C., Ciesielski, F., Chantalat, L., Christin, O., Comino, C., Duvert, D., Feret, C., Harris, C.S., Luzy, A.-P., Musicki, B., Orfila, D., Pascau, J., Parnet, V., Perrin, A., Pierre, R., Raffin, C., Rival, Y., Taquet, N., Thoreau, E., Hennequin, L.F.
Deposit date:2016-09-19
Release date:2016-11-16
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
5OL0
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STRUCTURE OF LEISHMANIA INFANTUM SILENT INFORMATION REGULATOR 2 RELATED PROTEIN 1 (LISIR2RP1) IN COMPLEX WITH ACETYLATED P53 PEPTIDE
Descriptor:Putative silent information regulator 2,Putative silent information regulator 2, Cellular tumor antigen p53, ZINC ION
Authors:Ronin, C., Ciesielski, F., Ciapetti, P.
Deposit date:2017-07-26
Release date:2018-02-28
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The crystal structure of the Leishmania infantum Silent Information Regulator 2 related protein 1: Implications to protein function and drug design.
PLoS ONE, 13, 2018
6FXL
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STRUCTURE OF TRYPANOSOMA CRUZI TYPE B RIBOSE 5-PHOSPHATE ISOMERASE (TCRPIB)
Descriptor:Ribose 5-phosphate isomerase, putative, PHOSPHATE ION
Authors:Ronin, C., Ciesielski, F., Ciapetti, P.
Deposit date:2018-03-09
Release date:2019-05-22
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of Trypanosoma cruzi type B ribose 5-phosphate isomerase (TcRpiB)
To Be Published
6FXS
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STRUCTURE OF TRYPANOSOMA BRUCEI TYPE B RIBOSE 5-PHOSPHATE ISOMERASE
Descriptor:Ribose 5-phosphate isomerase, putative, SULFATE ION
Authors:Ronin, C., Ciesielski, F., Ciapetti, P.
Deposit date:2018-03-09
Release date:2019-05-22
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure of Trypanosoma brucei type B ribose 5-phosphate isomerase (TbRpiB)
To Be Published
6FXW
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STRUCTURE OF LEISHMANIA INFANTUM TYPE B RIBOSE 5-PHOSPHATE ISOMERASE
Descriptor:Putative ribose 5-phosphate isomerase, SULFATE ION
Authors:Ronin, C., Ciesielski, F., Ciapetti, P.
Deposit date:2018-03-09
Release date:2019-05-22
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure of Leishmania infantum type B ribose 5-phosphate isomerase (TcRpiB)
To Be Published
6Q2W
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CRYSTAL STRUCTURE OF HUMAN ROR GAMMA LBD IN COMPLEX WITH A QUINOLINE SULFONAMIDE INVERSE AGONIST
Descriptor:Nuclear receptor ROR-gamma, (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide
Authors:Ciesielski, F., Amaudrut, J., Argiriadi, M.A., Barth, M., Breinlinger, E.C., Calderwood, D.J., Cusack, K.P., Kort, M.E., Montalbetti, C., Potin, D., Poupardin, O., Spitzer, L.
Deposit date:2018-12-03
Release date:2019-05-29
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
3CS6
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STRUCTURE-BASED DESIGN OF A SUPERAGONIST LIGAND FOR THE VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor, (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
Authors:Hourai, S., Rodriguez, L.C., Antony, P., Reina-San-Martin, B., Ciesielski, P., Magnier, B.C., Schoonjans, K., Mourino, A., Rochel, N., Moras, D.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
4RUJ
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CRYSTAL STRUCTURE OF ZVDR L337H MUTANT-VD COMPLEX
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 1, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
Authors:Huet, T., Moras, D., Rochel, N.
Deposit date:2014-11-20
Release date:2015-10-07
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
4RUO
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CRYSTAL STRUCTURE OF ZVDR L337H MUTANT-GEMINI COMPLEX
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 2, 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, ...
Authors:Huet, T., Moras, D., Rochel, N.
Deposit date:2014-11-21
Release date:2015-10-07
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
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