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PDB: 107 results
6MD4
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BU of 6md4 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD1
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BU of 6md1 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD2
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BU of 6md2 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Arachidonic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD0
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BU of 6md0 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Oleic Acid
Descriptor: OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
4IWC
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BU of 4iwc by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Thiophene-derivative
Descriptor: 4,4'-thiene-2,5-diylbis(3-methylphenol), 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 (2.24 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IW6
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BU of 4iw6 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b
Descriptor: 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-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 (1.98 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IU7
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BU of 4iu7 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b
Descriptor: 4-[2-ethyl-7-(trifluoromethyl)-2H-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:2013-01-20
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IV4
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BU of 4iv4 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 5b
Descriptor: 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-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:2013-01-22
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IVW
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BU of 4ivw by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b
Descriptor: 4-[2-benzyl-7-(trifluoromethyl)-2H-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:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IWF
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BU of 4iwf by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Oxime-derivative
Descriptor: 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-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 (1.932 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IV2
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BU of 4iv2 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a
Descriptor: 4-[1-(2-methylpropyl)-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:2013-01-22
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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
4IUI
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BU of 4iui by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a
Descriptor: 4-[1-butyl-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:2013-01-21
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IVY
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BU of 4ivy by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a
Descriptor: 4-[1-(but-3-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 (1.95 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4ZO1
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BU of 4zo1 by Molmil
Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha
Descriptor: 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ...
Authors:Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W.
Deposit date:2015-05-05
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.221 Å)
Cite:Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
6AUG
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BU of 6aug by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with SR16832
Descriptor: 2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2017-08-31
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6AVI
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BU of 6avi by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Nonanoic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2017-09-02
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6C1I
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BU of 6c1i by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J.
Deposit date:2018-01-04
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.
Nat Commun, 9, 2018
6DGO
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BU of 6dgo by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Troglitazone
Descriptor: (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6DHA
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BU of 6dha by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV)
Descriptor: Hydroxy Pioglitazone (M-IV), Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Mosure, S.A, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPAR gamma Drug Pioglitazone.
J. Med. Chem., 62, 2019
6DGL
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BU of 6dgl by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Darglitazone
Descriptor: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6DGQ
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BU of 6dgq by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10506
Descriptor: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6DGR
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BU of 6dgr by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10638
Descriptor: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6DGP
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BU of 6dgp by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with TRAP220 Coactivator Peptide
Descriptor: Peroxisome proliferator-activated receptor gamma, TRAP220 Coactivator Peptide (Mediator of RNA polymerase II transcription subunit 1)
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with TRAP220 Coactivator Peptide
To Be Published
6DH9
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BU of 6dh9 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602
Descriptor: (5S)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602
To Be Published

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