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5UC3
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BU of 5uc3 by Molmil
Structure of the dominant negative mutant Glucocorticoid Receptor alpha (L733K/N734P) complexed with RU-486
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ...
Authors:Min, J, Cidlowski, J.A, Pedersen, L.C.
Deposit date:2016-12-21
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Nuclear receptor
To Be Published
3FEJ
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BU of 3fej by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
Descriptor: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1
Authors:Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Kuhn, B, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M.
Deposit date:2008-11-30
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
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
2ZNN
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BU of 2znn by Molmil
Human PPAR alpha ligand binding domain in complex with a synthetic agonist TIPP703
Descriptor: (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Oyama, T, Toyota, K, Kasuga, J, Miyachi, H, Morikawa, K.
Deposit date:2008-04-30
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
8HUN
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BU of 8hun by Molmil
X-ray structure of human PPAR alpha ligand binding domain-seladelpar co-crystals obtained by cross-seeding
Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor alpha, Seladelpar
Authors:Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Iino, S, Oyama, T, Ishii, I.
Deposit date:2022-12-24
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
5L7G
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BU of 5l7g by Molmil
MCR IN COMPLEX WITH ligand
Descriptor: 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ...
Authors:Edman, K, Aagaard, A, Backstrom, S, Xue, Y.
Deposit date:2016-06-03
Release date:2016-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
8EV2
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BU of 8ev2 by Molmil
Dual Modulators
Descriptor: (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ...
Authors:Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
Deposit date:2022-10-19
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
6FZJ
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BU of 6fzj by Molmil
PPAR gamma mutant complex
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, IODIDE ION, ...
Authors:Rochel, N.
Deposit date:2018-03-14
Release date:2019-02-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
5E0X
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BU of 5e0x by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.014 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
8FKE
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BU of 8fke by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR32904
To Be Published
2XKW
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BU of 2xkw by Molmil
LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST PIOGLITAZONE
Descriptor: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Mueller, J.J, Schupp, M, Unger, T, Kintscher, U, Heinemann, U.
Deposit date:2010-07-14
Release date:2011-08-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Binding Diversity of Pioglitazone by Peroxisome Proliferator-Activated Receptor-Gamma
To be Published
1YYE
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BU of 1yye by Molmil
Crystal structure of estrogen receptor beta complexed with way-202196
Descriptor: 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
Authors:Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
Deposit date:2005-02-24
Release date:2006-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005
2PIO
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BU of 2pio by Molmil
Androgen receptor LBD with small molecule
Descriptor: 2-METHYL-1H-INDOLE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5KCU
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BU of 5kcu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative
Descriptor: (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
6LXC
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BU of 6lxc by Molmil
X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding
Descriptor: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
4UDA
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BU of 4uda by Molmil
MR in complex with dexamethasone
Descriptor: DEXAMETHASONE, GLYCEROL, MINERALOCORTICOID RECEPTOR, ...
Authors:Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4N8R
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BU of 4n8r by Molmil
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
3ERD
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BU of 3erd by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH DIETHYLSTILBESTROL AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor: ACETIC ACID, CHLORIDE ION, DIETHYLSTILBESTROL, ...
Authors:Shiau, A.K, Barstad, D, Loria, P.M, Cheng, L, Kushner, P.J, Agard, D.A, Greene, G.L.
Deposit date:1999-03-31
Release date:1999-04-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen.
Cell(Cambridge,Mass.), 95, 1998
3OS8
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BU of 3os8 by Molmil
Estrogen Receptor
Descriptor: 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor
Authors:Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2010-09-08
Release date:2010-11-10
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
5DY8
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BU of 5dy8 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-24
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4IW8
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BU of 4iw8 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a
Descriptor: 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.0375 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4RAK
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BU of 4rak by Molmil
Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed with partial agonist
Descriptor: 1,4-BUTANEDIOL, 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol, Oxysterols receptor LXR-beta
Authors:Nanao, M.
Deposit date:2014-09-10
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Liver X Receptor (LXR) partial agonists: Biaryl pyrazoles and imidazoles displaying a preference for LXR beta.
Bioorg.Med.Chem.Lett., 25, 2015
8DUI
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BU of 8dui by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(dimethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
Descriptor: Estrogen receptor, [(1'R)-1'-{4-[2-(dimethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Authors:Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
Deposit date:2022-07-27
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
5VB6
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BU of 5vb6 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5K38
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BU of 5k38 by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
Descriptor: Nuclear receptor ROR-gamma
Authors:Lu, J, Rastinejad, F.
Deposit date:2016-05-19
Release date:2017-05-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
To be published

221716

건을2024-06-26부터공개중

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