4Q0A
 
 | | Vitamin D Receptor complex with lithocholic acid | | Descriptor: | (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Belorusova, A, Rochel, N. | | Deposit date: | 2014-04-01 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the molecular mechanism of vitamin d receptor activation by lithocholic Acid involving a new mode of ligand recognition.
J.Med.Chem., 57, 2014
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5LGA
 | | Structural analysis and biological activities of BXL0124, a Gemini analog of Vitamin D | | Descriptor: | (1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC-2, Vitamin D3 receptor A | | Authors: | Belorusova, A.Y, Rochel, N. | | Deposit date: | 2016-07-06 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis and biological activities of BXL0124, a gemini analog of vitamin D.
J. Steroid Biochem. Mol. Biol., 173, 2017
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5NKY
 | | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | | Descriptor: | (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, SRC1, Vitamin D3 receptor A | | Authors: | Rochel, N, Belorusova, A.Y. | | Deposit date: | 2017-04-03 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | 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
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5E7V
 | | Potent Vitamin D Receptor Agonist | | Descriptor: | 1-ALPHA-HYDROXY-27-NOR-25-O-CARBONYL-VITAMIN D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Otero, R, Seoane, S, Sigueiro, R, Belorusova, A.Y, Maestro, M.A, Perez-Fernandez, R, Rochel, N, Mourino, A. | | Deposit date: | 2015-10-13 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Carborane-based design of a potent vitamin D receptor agonist.
Chem Sci, 7, 2016
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7BNS
 | | VDR complex with BXL-62 | | Descriptor: | 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Belorusova, A.Y. | | Deposit date: | 2021-01-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
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7BNU
 | | VDR complex with BXL-62 | | Descriptor: | 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Belorusova, A.Y. | | Deposit date: | 2021-01-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
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5NMA
 | | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | | Descriptor: | (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, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 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
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5NMB
 | | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | | Descriptor: | (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, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Belorusova, A.Y. | | Deposit date: | 2017-04-05 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | 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
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6XZK
 | | Structure of zVDR LBD-Calcitriol in complex with chimera 13 | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, GLU-ASN-ALA-UIA-URL-URY-URV-UZN-LYS, ... | | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | Deposit date: | 2020-02-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5MX7
 | | 1a,20S-dihydroxyvitamin D3 VDR complex | | Descriptor: | 1a,20S-dihydroxyvitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Belorusova, A.Y. | | Deposit date: | 2017-01-21 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | 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
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6XZJ
 | | Structure of zVDR LBD-Calcitriol in complex with chimera 12 | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URR-UIL-URL-GLN, ... | | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | Deposit date: | 2020-02-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6XZH
 | | Structure of zVDR LBD-Calcitriol in complex with chimera 10 | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ARG-HIS-LYS-ILE-URL-URK-URL-LEU-GLN, Vitamin D3 receptor A | | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | Deposit date: | 2020-02-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.372 Å) | | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6XZI
 | | Structure of zVDR LBD-calcitriol in complex with chimera 11 | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URK-UIL-URL, ... | | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | Deposit date: | 2020-02-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6XZV
 | | Structure of zVDR LBD-Calcitriol in complex with chimera 18 | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, URA-UIA-URL-URY-URV-UZN-LYS, Vitamin D3 receptor A | | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | Deposit date: | 2020-02-05 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6T2M
 | | VDR-ZK168281 complex | | Descriptor: | Nuclear receptor coactivator 1, Vitamin D3 receptor A, ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate | | Authors: | Rochel, N, Belorusova, A.Y. | | Deposit date: | 2019-10-09 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Analysis of VDR Complex with ZK168281 Antagonist.
J.Med.Chem., 63, 2020
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