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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
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
Descriptor: GLYCEROL, NITRATE ION, THYMINE DIOXYGENASE JBP1
Authors: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.
Deposit date:2010-09-28
Release date:2011-03-30
Last modified:2011-08-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structural Basis for Recognition of Base J Containing DNA by a Novel DNA Binding Domain in Jbp1.
Nucleic Acids Res., 39, 2011
5VB9
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BU of 5vb9 by Molmil
IL-17A in complex with peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-17A, ...
Authors: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.
Deposit date:2017-03-28
Release date:2018-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery.
PLoS ONE, 13, 2018
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
Descriptor: (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
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2013-04-12
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2013-04-15
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
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
Descriptor: 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
Authors:Wang, Y, Pelletier, L.
Deposit date:2017-03-06
Release date:2018-03-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:HDX reveals the conformational dynamics of DNA sequence specific VDR co-activator interactions.
Nat Commun, 8, 2017
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
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S, McKenna, R.
Deposit date:2009-04-06
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite: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
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-05-31
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.407 Å)
Cite: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
Descriptor: 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-04
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.197 Å)
Cite: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
Descriptor: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
Authors:Wang, Y.
Deposit date:2007-09-06
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Authors:Wang, Y.
Deposit date:2007-09-06
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3D6D
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BU of 3d6d by Molmil
Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer)
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R.
Deposit date:2008-05-19
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
3U9Q
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BU of 3u9q by Molmil
Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
Descriptor: DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
Authors:Malapaka, V.R, Xu, H.E.
Deposit date:2011-10-19
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.522 Å)
Cite: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
Descriptor: Serine/threonine-protein kinase SRK2E
Authors:Zhou, X.E, Ng, L.-M, Soon, F.-F, Kovach, A, Suino-Powell, K.M, Li, J, Melcher, K, Xu, H.E.
Deposit date:2011-10-26
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: COBALT (II) ION, Serine/threonine-protein kinase SRK2I
Authors:Zhou, X.E, Ng, L.-M, Soon, F.-F, Kovach, A, Suino-Powell, K.M, Li, J, Melcher, K, Xu, H.E.
Deposit date:2011-10-25
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ...
Authors: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.
Deposit date:2011-11-07
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3UJL
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BU of 3ujl by Molmil
Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2
Descriptor: (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, ...
Authors: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.
Deposit date:2011-11-07
Release date:2012-02-15
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3UJK
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BU of 3ujk by Molmil
Crystal structure of protein phosphatase ABI2
Descriptor: MAGNESIUM ION, Protein phosphatase 2C 77
Authors: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.
Deposit date:2011-11-07
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012

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