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234,136 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Gene Name = "nr1i1a"

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Search Summary

This query matches 69 Structures.

Refinements

Structure Determination Methodology

experimental (69)

Scientific Name of Source Organism

	Danio rerio (69)
	Homo sapiens (64)
	synthetic construct (5)

Taxonomy

	Eukaryota (69)
	other sequences (5)

Experimental Method

X-RAY DIFFRACTION (69)

Polymer Entity Type

Protein (69)

Refinement Resolution (Å)

	1.5 - 2.0 (6)
	2.0 - 2.5 (29)
	2.5 - 3.0 (32)
	3.0 - 3.5 (2)

Release Date

	2005 - 2009 (1)
	2010 - 2014 (14)
	2015 - 2019 (17)
	2020 - 2024 (37)

Enzyme Classification Name

Transferases (36)

Symmetry Type

	Cyclic (56)
	Asymmetric (13)

AllSelected

1 to 25 of 69 Structures

Page 1 of 3

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Explore in 3D

3DR1 \| pdb_00003dr1	Download File View File

Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D receptor

Sato, Y., Rochel, N., Moras, D.

(2008) Chem Biol 15: 1029-1034

Released	2009-06-16
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	SRC-1 (LXXLL motif) from Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	C5D, MG

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3O1D \| pdb_00003o1d	Download File View File

Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.

Huet, T., Moras, D., Rochel, N.

(2011) Medchemcomm 2: 424-429

Released	2011-07-06
Method	X-RAY DIFFRACTION 2.4007 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	G72

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3O1E \| pdb_00003o1e	Download File View File

Structure-function of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.

Huet, T., Moras, D., Rochel, N.

(2011) Medchemcomm 2: 424-429

Released	2011-07-06
Method	X-RAY DIFFRACTION 2.5001 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	H97

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4FHH \| pdb_00004fhh	Download File View File

Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition

Fischer, J., Wang, T.T., Kaldre, D., Rochel, N., Moras, D., White, J.H., Gleason, J.L.

(2012) Chem Biol 19: 963-971

Released	2012-09-19
Method	X-RAY DIFFRACTION 2.33 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	0U3

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4G1D \| pdb_00004g1d	Download File View File

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

Ciesielski, F., Sato, Y., Moras, D., Rochel, N.

(2012) J Med Chem 55: 8440-8449

Released	2012-09-26
Method	X-RAY DIFFRACTION 2.9 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	0VK

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4G1Y \| pdb_00004g1y	Download File View File

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

Ciesielski, F., Sato, Y., Moras, D., Rochel, N.

(2012) J Med Chem 55: 8440-8449

Released	2012-09-26
Method	X-RAY DIFFRACTION 2.85 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	0VO

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4G1Z \| pdb_00004g1z	Download File View File

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

Ciesielski, F., Sato, Y., Moras, D., Rochel, N.

(2012) J Med Chem 55: 8440-8449

Released	2012-09-26
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	0VP

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4G20 \| pdb_00004g20	Download File View File

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

Ciesielski, F., Sato, Y., Moras, D., Rochel, N.

(2012) J Med Chem 55: 8440-8449

Released	2012-09-26
Method	X-RAY DIFFRACTION 2.9 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	484

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4G21 \| pdb_00004g21	Download File View File

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

Ciesielski, F., Sato, Y., Moras, D., Rochel, N.

(2012) J Med Chem 55: 8440-8449

Released	2012-09-26
Method	X-RAY DIFFRACTION 2.9 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	0VP

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4G2H \| pdb_00004g2h	Download File View File

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

Ciesielski, F., Sato, Y., Moras, D., Rochel, N.

(2012) J Med Chem 55: 8440-8449

Released	2012-09-26
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	0VQ

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4IA1 \| pdb_00004ia1	Download File View File

Diastereotopic and Deuterium Effects in Gemini

Maehr, H., Rochel, N., Suh, N., Uskokovic, M.

(2013) J Med Chem 56: 3878-3888

Released	2013-04-24
Method	X-RAY DIFFRACTION 2.44 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	BIV

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4IA2 \| pdb_00004ia2	Download File View File

Diastereotopic and Deuterium Effects in Gemini

Maehr, H., Rochel, N., Suh, N., Uskokovic, M.

(2013) J Med Chem 56: 3878-3888

Released	2013-04-24
Method	X-RAY DIFFRACTION 2.95 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	BIV

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4IA3 \| pdb_00004ia3	Download File View File

Diastereotopic and Deuterium Effects in Gemini

Maehr, H., Rochel, N., Suh, N., Uskokovic, M.

(2013) J Med Chem 56: 3878-3888

Released	2013-04-24
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	BIV

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4IA7 \| pdb_00004ia7	Download File View File

Diastereotopic and Deuterium Effects in Gemini

Maehr, H., Rochel, N., Suh, N., Uskokovic, M.

(2013) J Med Chem 56: 3878-3888

Released	2013-04-24
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	BIV

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4Q0A \| pdb_00004q0a	Download File View File

Vitamin D Receptor complex with lithocholic acid

Belorusova, A., Rochel, N.

(2014) J Med Chem 57: 4710-4719

Released	2014-07-02
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	4OA

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4RUJ \| pdb_00004ruj	Download File View File

Crystal structure of zVDR L337H mutant-VD complex

Huet, T., Moras, D., Rochel, N.

(2015) Cell Rep 10: 516-526

Released	2015-10-07
Method	X-RAY DIFFRACTION 2.352 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	VDX

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4RUO \| pdb_00004ruo	Download File View File

Crystal structure of zVDR L337H mutant-gemini complex

Huet, T., Moras, D., Rochel, N.

(2015) Cell Rep 10: 516-526

Released	2015-10-07
Method	X-RAY DIFFRACTION 2.805 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	BIV

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4RUP \| pdb_00004rup	Download File View File

Crystal structure of zVDR L337H mutant-Gemini72 complex

Huet, T., Moras, D., Rochel, N.

(2015) Cell Rep 10: 516-526

Released	2015-10-07
Method	X-RAY DIFFRACTION 2.75 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	H97

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5E7V \| pdb_00005e7v	Download File View File

Potent Vitamin D Receptor Agonist

Otero, R., Seoane, S., Sigueiro, R., Belorusova, A.Y., Maestro, M.A., Perez-Fernandez, R., Rochel, N., Mourino, A.

(2016) Chem Sci 7: 1033-1037

Released	2015-11-25
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	M7E

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5LGA \| pdb_00005lga	Download File View File

Structural analysis and biological activities of BXL0124, a Gemini analog of Vitamin D

Belorusova, A.Y., Rochel, N.

(2017) J Steroid Biochem Mol Biol 173: 69-74

Released	2016-10-19
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	SRC-2 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	6VH

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5MX7 \| pdb_00005mx7	Download File View File

1a,20S-dihydroxyvitamin D3 VDR complex

Rochel, N., Belorusova, A.Y.

(2017) Sci Rep 7: 10193-10193

Released	2017-11-29
Method	X-RAY DIFFRACTION 1.98 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	D3V

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5NKY \| pdb_00005nky	Download File View File

Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain

Rochel, N., Belorusova, A.Y.

(2017) Eur J Med Chem 134: 86-96

Released	2017-05-24
Method	X-RAY DIFFRACTION 2.096 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	SRC1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	91W

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5NMA \| pdb_00005nma	Download File View File

Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain

Rochel, N., Belorusova, A.Y.

(2017) Eur J Med Chem 134: 86-96

Released	2017-05-24
Method	X-RAY DIFFRACTION 2.8 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	9CW

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5NMB \| pdb_00005nmb	Download File View File

Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain

Rochel, N., Belorusova, A.Y.

(2017) Eur J Med Chem 134: 86-96

Released	2017-05-24
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	9CZ

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5OW7 \| pdb_00005ow7	Download File View File

VDR complex

Rochel, N., Li, W.

(2018) Sci Rep 8: 1478-1478

Released	2018-02-07
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Danio rerio Homo sapiens
Macromolecule	Nuclear receptor coactivator 1 (protein) Vitamin D3 receptor A (protein)
Unique Ligands	AYK

1 to 25 of 69 Structures

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Structure Determination Methodology

Scientific Name of Source Organism

Taxonomy

Experimental Method

Polymer Entity Type

Refinement Resolution (Å)

Release Date

Enzyme Classification Name

Symmetry Type

3DR1 | pdb_00003dr1

3O1D | pdb_00003o1d

3O1E | pdb_00003o1e

4FHH | pdb_00004fhh

4G1D | pdb_00004g1d

4G1Y | pdb_00004g1y

4G1Z | pdb_00004g1z

4G20 | pdb_00004g20

4G21 | pdb_00004g21

4G2H | pdb_00004g2h

4IA1 | pdb_00004ia1

4IA2 | pdb_00004ia2

4IA3 | pdb_00004ia3

4IA7 | pdb_00004ia7

4Q0A | pdb_00004q0a

4RUJ | pdb_00004ruj

4RUO | pdb_00004ruo

4RUP | pdb_00004rup

5E7V | pdb_00005e7v

5LGA | pdb_00005lga

5MX7 | pdb_00005mx7

5NKY | pdb_00005nky

5NMA | pdb_00005nma

5NMB | pdb_00005nmb

5OW7 | pdb_00005ow7