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PDB: 379 results

4FHI
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BU of 4fhi by Molmil
Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition
Descriptor: N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, SRC-1, Vitamin Nuclear Receptor
Authors:Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L.
Deposit date:2012-06-06
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition.
Chem.Biol., 19, 2012
2LDC
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BU of 2ldc by Molmil
Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2)
Descriptor: Estrogen receptor-binding stapled peptide SP1
Authors:Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S.
Deposit date:2011-05-20
Release date:2011-07-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Design and structure of stapled peptides binding to estrogen receptors.
J.Am.Chem.Soc., 133, 2011
7RAE
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BU of 7rae by Molmil
AncAR1 - progesterone - Tif2
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Ancestral androgen receptor, GLYCEROL, ...
Authors:Ortlund, E.A.
Deposit date:2021-07-01
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:AncAR1 - DHT - Tif2
To Be Published
7RAF
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BU of 7raf by Molmil
AncAR1-Rev - progesterone - Tif2
Descriptor: Ancestral androgen receptor, GLYCEROL, PROGESTERONE, ...
Authors:Colucci, J.K.
Deposit date:2021-07-01
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:AncAR1-Rev - progesterone - Tif2
To Be Published
5LGA
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BU of 5lga by Molmil
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
1WM0
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BU of 1wm0 by Molmil
PPARgamma in complex with a 2-BABA compound
Descriptor: 14-mer from Nuclear receptor coactivator 2, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome proliferator activated receptor gamma
Authors:Ostberg, T, Svensson, S, Selen, G, Uppenberg, J, Thor, M, Sundbom, M, Sydow-Backman, M, Gustavsson, A.L, Jendeberg, L.
Deposit date:2004-07-01
Release date:2004-09-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A new class of peroxisome proliferator-activated receptor agonists with a novel binding epitope shows antidiabetic effects
J.Biol.Chem., 279, 2004
1OSV
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BU of 1osv by Molmil
STRUCTURAL BASIS FOR BILE ACID BINDING AND ACTIVATION OF THE NUCLEAR RECEPTOR FXR
Descriptor: 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile acid receptor, Nuclear receptor coactivator 2
Authors:Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F.
Deposit date:2003-03-20
Release date:2004-03-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR
Mol.Cell, 11, 2003
1L2I
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BU of 1l2i by Molmil
Human Estrogen Receptor alpha Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol and a Glucocorticoid Receptor Interacting Protein 1 NR box II Peptide
Descriptor: (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL, CHLORIDE ION, ESTROGEN RECEPTOR, ...
Authors:Shiau, A.K, Barstad, D, Radek, J.T, Meyers, M.J, Nettles, K.W, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Agard, D.A, Greene, G.L.
Deposit date:2002-02-21
Release date:2002-05-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002
2Q6J
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BU of 2q6j by Molmil
Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand
Descriptor: 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide
Authors:Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A.
Deposit date:2007-06-05
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands
Chem.Biol., 14, 2007
2QAB
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BU of 2qab by Molmil
Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound
Descriptor: 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QA6
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BU of 2qa6 by Molmil
Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
Descriptor: 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
3MNO
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BU of 3mno by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, F608S) mutations at 1.55A
Descriptor: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
Deposit date:2010-04-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
3MNP
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BU of 3mnp by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, V708A, E711G) mutations at 1.50A
Descriptor: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
Deposit date:2010-04-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
3MNE
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BU of 3mne by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by F608S mutation at 1.96A
Descriptor: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
Deposit date:2010-04-21
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
6ESN
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BU of 6esn by Molmil
Ligand complex of RORg LBD
Descriptor: (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ...
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2017-10-23
Release date:2018-08-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
1GWR
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BU of 1gwr by Molmil
HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-OESTRADIOL AND TIF2 NRBOX3 PEPTIDE
Descriptor: ESTRADIOL, OESTROGEN RECEPTOR, TRANSCRIPTION INTERMEDIARY FACTOR-2
Authors:Pike, A.C.W, Brzozowski, A.M.
Deposit date:2002-03-22
Release date:2002-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interaction of Transcriptional Intermediary Factor 2 Nuclear Receptor Box Peptides with the Coactivator Binding Site of Estrogen Receptor Alpha.
J.Biol.Chem., 277, 2002
8GL7
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BU of 8gl7 by Molmil
AncAR1 - progesterone - Tif2
Descriptor: Ancestral androgen receptor, GLYCEROL, Nuclear receptor coactivator 2, ...
Authors:Little, M.M, Ortlund, E.A.
Deposit date:2023-03-21
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolutionary tuning of a key helix drove androgen selectivity
To Be Published
4WG0
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BU of 4wg0 by Molmil
Crystal structure of a tridecameric superhelix
Descriptor: CHOLIC ACID, Nuclear receptor coactivator 2, SULFATE ION
Authors:Rudolph, M.G, Uson, I, Schoch, G.
Deposit date:2014-09-17
Release date:2015-01-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of a 13-fold superhelix (almost) determined from first principles.
Iucrj, 2, 2015
8VKZ
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BU of 8vkz by Molmil
Crystal structure of Glucocorticoid Receptor in complex with an inhibitor
Descriptor: (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2024-01-10
Release date:2024-01-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties.
Rsc Med Chem, 15, 2024
6OQY
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BU of 6oqy by Molmil
Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator
Descriptor: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2019-04-29
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
7D42
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BU of 7d42 by Molmil
Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor
Descriptor: Bile acid receptor, Peptide from Nuclear receptor coactivator 2, Tropifexor
Authors:Jiang, L, Chen, Y.
Deposit date:2020-09-22
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural basis of tropifexor as a potent and selective agonist of farnesoid X receptor.
Biochem.Biophys.Res.Commun., 534, 2021
7YMK
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BU of 7ymk by Molmil
Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide
Descriptor: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
Authors:Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
Deposit date:2022-07-28
Release date:2023-05-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of novel covalent selective estrogen receptor degraders against endocrine-resistant breast cancer.
Acta Pharm Sin B, 13, 2023
1GWQ
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BU of 1gwq by Molmil
HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE CORE AND TIF2 NRBOX2 PEPTIDE
Descriptor: NUCLEAR RECEPTOR COACTIVATOR 2, OESTROGEN RECEPTOR, RALOXIFENE CORE
Authors:Pike, A.C.W, Brzozowski, A.M.
Deposit date:2002-03-22
Release date:2002-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Interaction of Transcriptional Intermediary Factor 2 Nuclear Receptor Box Peptides with the Coactivator Binding Site of Estrogen Receptor Alpha.
J.Biol.Chem., 277, 2002
2QH6
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BU of 2qh6 by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound
Descriptor: DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-29
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QXM
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BU of 2qxm by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP
Descriptor: 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Gil, G, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-08-12
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008

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