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4M8H
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CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (R)4-METHYL 9cUAB30 AND COACTIVATOR PEPTIDE GRIP-1
Descriptor: (2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2013-08-13
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Bioorg.Med.Chem., 22, 2014
4OZR
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BU of 4ozr by Molmil
Crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (methylene lactam crystal)
Descriptor: Ecdysone receptor, Retinoid X receptor
Authors:Ren, B, Peat, T.S, Streltsov, V.A, Pollard, M, Fernley, R, Grusovin, J, Seabrook, S, Pilling, P, Phan, T, Lu, L, Lovrecz, G.O, Graham, L.D, Hill, R.J.
Deposit date:2014-02-18
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unprecedented conformational flexibility revealed in the ligand-binding domains of the Bovicola ovis ecdysone receptor (EcR) and ultraspiracle (USP) subunits.
Acta Crystallogr.,Sect.D, 70, 2014
4OH5
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BU of 4oh5 by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-17
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OHA
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BU of 4oha by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-17
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OJ9
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BU of 4oj9 by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, GLYCEROL, HYDROXYFLUTAMIDE, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-20
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OGH
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BU of 4ogh by Molmil
Crystal structure of T877A-AR-LBD
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-16
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4M8E
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BU of 4m8e by Molmil
CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1
Descriptor: (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2013-08-13
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Bioorg.Med.Chem., 22, 2014
4MG7
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BU of 4mg7 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with ferutinine
Descriptor: 1,2-ETHANEDIOL, Estrogen receptor, Nuclear receptor coactivator 1, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
4N8R
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Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008
Descriptor: 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha
Authors:Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C.
Deposit date:2013-10-17
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
4N73
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BU of 4n73 by Molmil
Crystal structure of the ligand binding domain (LBD) of REV-ERB beta bound to Cobalt Protoporphyrin IX
Descriptor: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING CO
Authors:Matta-Camacho, E, Kojetin, D.
Deposit date:2013-10-14
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8662 Å)
Cite:Structure of REV-ERB beta Ligand-binding Domain Bound to a Porphyrin Antagonist.
J.Biol.Chem., 289, 2014
4P6X
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BU of 4p6x by Molmil
Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
Deposit date:2014-03-25
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
4NB6
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BU of 4nb6 by Molmil
Crystal structure of the ligand binding domain of RORC with T0901317
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma
Authors:Hymowitz, S.G, Boenig-de Leon, G.
Deposit date:2013-10-22
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc.
Bioorg.Med.Chem.Lett., 23, 2013
4PRG
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BU of 4prg by Molmil
0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL
Descriptor: (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA)
Authors:Milburn, M.V.
Deposit date:1999-05-07
Release date:1999-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation.
Proc.Natl.Acad.Sci.USA, 96, 1999
4PF3
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BU of 4pf3 by Molmil
Mineralocorticoid receptor ligand-binding domain with compuond 37a
Descriptor: 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor
Authors:Sogabe, S, Habuka, N.
Deposit date:2014-04-28
Release date:2014-11-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
4PLE
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BU of 4ple by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
Authors:Ortlund, E.A, Musille, P.M.
Deposit date:2014-05-16
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity.
J.Biol.Chem., 291, 2016
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Ma, Y.L, Yang, L.Q.
Deposit date:2013-11-06
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
4POJ
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BU of 4poj by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 7-methyl UAB30 and the coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2014-02-25
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
4PLD
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BU of 4pld by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human TIF-2
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Musille, P.M, Ortlund, E.A.
Deposit date:2014-05-16
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity.
J.Biol.Chem., 291, 2016
4P6W
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BU of 4p6w by Molmil
Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain
Descriptor: Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2
Authors:He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
Deposit date:2014-03-25
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
4PP5
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BU of 4pp5 by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 5-methyl UAB30 and the coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2014-02-26
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
4PP6
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BU of 4pp6 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, RESVERATROL
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W.
Deposit date:2014-02-26
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
4POH
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BU of 4poh by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2014-02-25
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
4OAR
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BU of 4oar by Molmil
Progesterone receptor with bound ulipristal acetate and a peptide from the co-repressor SMRT
Descriptor: Peptide from Nuclear receptor corepressor 2, Progesterone receptor, [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate
Authors:Petit-Topin, I, Fay, M.R, Resche-Rigon, M, Ulmann, A, Gainer, E, Rafestin-Oblin, M.-E, Fagart, J.
Deposit date:2014-01-06
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Molecular determinants of the recognition of ulipristal acetate by oxo-steroid receptors.
J.Steroid Biochem.Mol.Biol., 144PB, 2014
4ONI
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BU of 4oni by Molmil
Structure of Human Orphan Receptor LRH1 bound to two bacterial phospholipids
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ...
Authors:Gorman, M.A, Parker, M.W, Kusumo, S.
Deposit date:2014-01-28
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human nuclear receptor LRH1 bound to phosopholipids and SHP peptide
To be Published
4OEY
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BU of 4oey by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-14
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014

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數據於2024-09-18公開中

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