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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
分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
著者Shang, J, Kojetin, D.J.
登録日2018-09-03
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献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
分子名称: 4,4'-thiene-2,5-diylbis(3-methylphenol), Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-23
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IV2
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Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a
分子名称: 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-22
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献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
分子名称: 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-23
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.0375 Å)
主引用文献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
分子名称: 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-21
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-23
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-23
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
分子名称: 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-20
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献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
分子名称: 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-22
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-23
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献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
分子名称: 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
登録日2013-01-23
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Kojetin, D.J.
登録日2017-09-02
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6AUG
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BU of 6aug by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with SR16832
分子名称: 2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Kojetin, D.J.
登録日2017-08-31
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献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
分子名称: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J.
登録日2018-01-04
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.
Nat Commun, 9, 2018
2RO4
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BU of 2ro4 by Molmil
RDC-refined Solution Structure of the N-terminal DNA Recognition Domain of the Bacillus subtilis Transition-state Regulator AbrB
分子名称: Transition state regulatory protein abrB
著者Sullivan, D.M, Bobay, B.G, Kojetin, D.J, Thompson, R.J, Rance, M, Strauch, M.A, Cavanagh, J.
登録日2008-03-08
公開日2008-11-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Insights into the nature of DNA binding of AbrB-like transcription factors
Structure, 16, 2008
5KRO
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BU of 5kro by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
分子名称: (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5KRH
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BU of 5krh by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16-benzylidene estrone
分子名称: (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-02-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6VZO
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BU of 6vzo by Molmil
Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold)
分子名称: Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2020-02-28
公開日2021-03-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZM
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BU of 6vzm by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone
分子名称: (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
著者Shang, J, Kojetin, D.J.
登録日2020-02-28
公開日2021-03-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZN
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BU of 6vzn by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant
分子名称: Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2020-02-28
公開日2021-03-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZL
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BU of 6vzl by Molmil
Crystal structure of human PPARgamma ligand binding domain in complex with GW1929
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2020-02-28
公開日2021-03-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
5KRA
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BU of 5kra by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE
分子名称: 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene, 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene, Estrogen receptor, ...
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-02-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5KRI
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BU of 5kri by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol
分子名称: (8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6WMS
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BU of 6wms by Molmil
Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID2 Peptide
分子名称: NCOR isoform c, Nuclear receptor Rev-ErbA beta variant 1, PROTOPORPHYRIN IX CONTAINING FE
著者Mosure, S.A, Shang, J, Kojetin, D.J.
登録日2020-04-21
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta.
Sci Adv, 7, 2021
6WMQ
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BU of 6wmq by Molmil
Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID1 Peptide
分子名称: Nuclear receptor Rev-ErbA beta variant 1, Nuclear receptor corepressor 1, PROTOPORPHYRIN IX CONTAINING FE
著者Mosure, S.A, Shang, J, Kojetin, D.J.
登録日2020-04-21
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta.
Sci Adv, 7, 2021

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