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2XSE
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BU of 2xse by Molmil
The structural basis for recognition of J-base containing DNA by a novel DNA-binding domain in JBP1
分子名称: GLYCEROL, NITRATE ION, THYMINE DIOXYGENASE JBP1
著者Heidebrecht, T, Christodoulou, E, Chalmers, M.J, Jan, S, ter Riete, B, Grover, R.K, Joosten, R.P, Littler, D, vanLuenen, H, Griffin, P.R, Wentworth, P, Borst, P, Perrakis, A.
登録日2010-09-28
公開日2011-03-30
最終更新日2011-08-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Structural Basis for Recognition of Base J Containing DNA by a Novel DNA Binding Domain in Jbp1.
Nucleic Acids Res., 39, 2011
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
分子名称: 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ...
著者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.
登録日2015-05-05
公開日2015-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.221 Å)
主引用文献Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
5VB9
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BU of 5vb9 by Molmil
IL-17A in complex with peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-17A, ...
著者Antonysamy, S, Russell, M, Zhang, A, Groshong, C, Manglicmot, D, Lu, F, Benach, J, Wasserman, S.R, Zhang, F, Afshar, S, Bina, H, Broughton, H, Chalmers, M, Dodge, J, Espada, A, Jones, S, Ting, J.P, Woodman, M.
登録日2017-03-28
公開日2018-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery.
PLoS ONE, 13, 2018
5V39
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BU of 5v39 by Molmil
Crystal structure of human vitamin D receptor ligand binding domain in complex with a VDRM
分子名称: 5-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-N-(1H-tetrazol-5-yl)thiophene-2-carboxamide, Vitamin D3 receptor
著者Wang, Y, Pelletier, L.
登録日2017-03-06
公開日2018-03-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献HDX reveals the conformational dynamics of DNA sequence specific VDR co-activator interactions.
Nat Commun, 8, 2017
4K4J
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BU of 4k4j by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9cUAB30 and the coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
著者Xia, G, Smith, C.D, Muccio, D.D.
登録日2013-04-12
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
4K6I
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BU of 4k6i by Molmil
Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with Targretin and the coactivator peptide GRIP-1
分子名称: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Smith, C.D, Muccio, D.D.
登録日2013-04-15
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
3GZ0
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BU of 3gz0 by Molmil
Apo-human carbonic anhydrase II revisited: Implications of the loss of a metal in protein structure, stability and solvent network
分子名称: Carbonic anhydrase 2, ZINC ION
著者Avvaru, B.S, McKenna, R.
登録日2009-04-06
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Apo-Human Carbonic Anhydrase II Revisited: Implications of the Loss of a Metal in Protein Structure, Stability, and Solvent Network .
Biochemistry, 48, 2009
2Q6S
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BU of 2q6s by Molmil
2.4 angstrom crystal structure of PPAR gamma complexed to BVT.13 without co-activator peptides
分子名称: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5P
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BU of 2q5p by Molmil
Crystal Structure of PPARgamma bound to partial agonist MRL24
分子名称: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q59
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BU of 2q59 by Molmil
Crystal Structure of PPARgamma LBD bound to full agonist MRL20
分子名称: (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-05-31
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q6R
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BU of 2q6r by Molmil
Crystal structure of PPAR gamma complexed with partial agonist SF147
分子名称: 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5S
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BU of 2q5s by Molmil
Crystal Structure of PPARgamma bound to partial agonist nTZDpa
分子名称: 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q61
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BU of 2q61 by Molmil
Crystal Structure of PPARgamma ligand binding domain bound to partial agonist SR145
分子名称: 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-04
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2R6W
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BU of 2r6w by Molmil
Estrogen receptor alpha ligand-binding domain complexed to a SERM
分子名称: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
著者Wang, Y.
登録日2007-09-06
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R6Y
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BU of 2r6y by Molmil
Estrogen receptor alpha ligand-binding domain in complex with a SERM
分子名称: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
著者Wang, Y.
登録日2007-09-06
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3U9Q
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BU of 3u9q by Molmil
Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
分子名称: DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
著者Malapaka, V.R, Xu, H.E.
登録日2011-10-19
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.522 Å)
主引用文献Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors.
J.Biol.Chem., 287, 2012
3UC4
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BU of 3uc4 by Molmil
The crystal structure of Snf1-related kinase 2.6
分子名称: Serine/threonine-protein kinase SRK2E
著者Zhou, X.E, Ng, L.-M, Soon, F.-F, Kovach, A, Suino-Powell, K.M, Li, J, Melcher, K, Xu, H.E.
登録日2011-10-26
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for basal activity and autoactivation of abscisic acid (ABA) signaling SnRK2 kinases.
Proc.Natl.Acad.Sci.USA, 108, 2011
3UC3
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BU of 3uc3 by Molmil
The crystal structure of Snf1-related kinase 2.3
分子名称: COBALT (II) ION, Serine/threonine-protein kinase SRK2I
著者Zhou, X.E, Ng, L.-M, Soon, F.-F, Kovach, A, Suino-Powell, K.M, Li, J, Melcher, K, Xu, H.E.
登録日2011-10-25
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for basal activity and autoactivation of abscisic acid (ABA) signaling SnRK2 kinases.
Proc.Natl.Acad.Sci.USA, 108, 2011
3UJG
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BU of 3ujg by Molmil
Crystal structure of SnRK2.6 in complex with HAB1
分子名称: MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ...
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3UJL
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Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3UJK
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Crystal structure of protein phosphatase ABI2
分子名称: MAGNESIUM ION, Protein phosphatase 2C 77
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3D6D
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Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer)
分子名称: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R.
登録日2008-05-19
公開日2008-12-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008

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