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3DVL
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BU of 3dvl by Molmil
Crystal Structure of Full Length Circadian Clock Protein KaiC with Correct Geometry at Phosphorylation Sites
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION
著者Pattanayek, R, Egli, M.
登録日2008-07-18
公開日2009-07-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Full Length Circadian Clock Protein KaiC with Correct Geometry at Phosphorylation Sites
To be Published
4GM3
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BU of 4gm3 by Molmil
Crystal structure of human WD repeat domain 5 with compound MM-101
分子名称: MM-101, WD repeat-containing protein 5
著者Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
登録日2012-08-15
公開日2013-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.393 Å)
主引用文献High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
4GMB
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BU of 4gmb by Molmil
Crystal structure of human WD repeat domain 5 with compound MM-402
分子名称: MM-402, WD repeat-containing protein 5
著者Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
登録日2012-08-15
公開日2014-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.781 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
5N8Y
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BU of 5n8y by Molmil
KaiCBA circadian clock backbone model based on a Cryo-EM density
分子名称: Circadian clock protein KaiA, Circadian clock protein KaiB, Circadian clock protein kinase KaiC
著者Schuller, J.M, Snijder, J, Loessl, P, Heck, A.J.R, Foerster, F.
登録日2017-02-24
公開日2017-03-29
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structures of the cyanobacterial circadian oscillator frozen in a fully assembled state.
Science, 355, 2017
5NTW
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BU of 5ntw by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
分子名称: (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Kallen, J.
登録日2017-04-28
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
5OEJ
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BU of 5oej by Molmil
Structure of Tra1 subunit within the chromatin modifying complex SAGA
分子名称: Tra1 subunit within the chromatin modifying complex SAGA
著者Sharov, G, Voltz, K, Durand, A, Kolesnikova, O, Papai, G, Myasnikov, A.G, Dejaegere, A, Ben-Shem, A, Schultz, P.
登録日2017-07-07
公開日2017-08-02
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Structure of the transcription activator target Tra1 within the chromatin modifying complex SAGA.
Nat Commun, 8, 2017
2NP3
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BU of 2np3 by Molmil
Crystal structure of TetR-family regulator (SCO0857) from Streptomyces coelicolor A3.
分子名称: Putative TetR-family regulator
著者Koclega, K.D, Xu, X, Chruszcz, M, Gu, J, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2006-10-26
公開日2006-11-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of TetR-family regulator (SCO0857) from Streptomyces coelicolor A3.
To be Published
2NP5
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BU of 2np5 by Molmil
Crystal structure of a transcriptional regulator (RHA1_ro04179) from Rhodococcus sp. Rha1.
分子名称: DODECYL-BETA-D-MALTOSIDE, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, Transcriptional regulator
著者Chruszcz, M, Evdokimova, E, Kagan, O, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2006-10-26
公開日2006-11-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a transcriptional regulator (RHA1_ro04179) from Rhodococcus sp. Rha1.
TO BE PUBLISHED
5NU1
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BU of 5nu1 by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
著者Kallen, J.
登録日2017-04-28
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
3ET3
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BU of 3et3 by Molmil
Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
分子名称: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor gamma, Steroid receptor coactivator 1
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
1CL3
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BU of 1cl3 by Molmil
MOLECULAR INSIGHTS INTO PEBP2/CBF-SMMHC ASSOCIATED ACUTE LEUKEMIA REVEALED FROM THE THREE-DIMENSIONAL STRUCTURE OF PEBP2/CBF BETA
分子名称: POLYOMAVIRUS ENHANCER BINDING PROTEIN 2
著者Goger, M, Gupta, V, Kim, W.Y, Shigesada, K, Ito, Y, Werner, M.H.
登録日1999-05-04
公開日2000-01-01
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Molecular insights into PEBP2/CBF beta-SMMHC associated acute leukemia revealed from the structure of PEBP2/CBF beta
Nat.Struct.Biol., 6, 1999
2X74
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BU of 2x74 by Molmil
Human foamy virus integrase - catalytic core.
分子名称: INTEGRASE
著者Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A.
登録日2010-02-23
公開日2010-08-11
最終更新日2012-04-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
4FMQ
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BU of 4fmq by Molmil
Crystal structure of human ERK2 complexed with a MAPK docking peptide
分子名称: MAPK DOCKING PEPTIDE, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Gogl, G, Toeroe, I, Remenyi, A.
登録日2012-06-18
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Specificity of linear motifs that bind to a common mitogen-activated protein kinase docking groove.
Sci.Signal., 5, 2012
3FRW
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BU of 3frw by Molmil
Crystal structure of putative TrpR protein from Ruminococcus obeum
分子名称: ACETATE ION, Putative Trp repressor protein
著者Osipiuk, J, Keigher, L, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-01-08
公開日2009-01-20
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-ray crystal structure of putative TrpR protein from Ruminococcus obeum.
To be Published
3ADX
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BU of 3adx by Molmil
Human PPARgamma ligand-binding domain in complex with indomethacin and nitro-233
分子名称: 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid, INDOMETHACIN, Peroxisome proliferator-activated receptor gamma
著者Waku, T, Shiraki, T, Oyama, T, Morikawa, K.
登録日2010-01-29
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites
Embo J., 29, 2010
3FX3
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BU of 3fx3 by Molmil
Structure of a putative cAMP-binding regulatory protein from Silicibacter pomeroyi DSS-3
分子名称: Cyclic nucleotide-binding protein, GLYCEROL, PHOSPHATE ION
著者Cuff, M.E, Zhou, M, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-01-19
公開日2009-03-24
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a putative cAMP-binding regulatory protein from Silicibacter pomeroyi DSS-3
TO BE PUBLISHED
3FXV
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BU of 3fxv by Molmil
Identification of an N-oxide pyridine GW4064 analogue as a potent FXR agonist
分子名称: 12-meric peptide from Nuclear receptor coactivator 1, 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox ylic acid, NR1H4 protein
著者Feng, S, Yang, M, He, Y, Chen, L, Zhang, Z, Wang, Z, Hong, D, Richter, H, Benson, G.M, Bleicher, K, Grether, U, Martin, R, Plancher, J.-M, Kuhn, B, Rudolph, M.G.
登録日2009-01-21
公開日2009-04-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist
Bioorg.Med.Chem.Lett., 19, 2009
3D5F
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BU of 3d5f by Molmil
Crystal Structure of PPAR-delta complex
分子名称: Peroxisome proliferator-activated receptor delta, {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid
著者Amano, Y.
登録日2008-05-16
公開日2008-06-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PPAR-Delta Activation Contributes to Neuroprotectio Against Thapsigargin-Induced SH-SY5Y Cell Death
to be published
3ADU
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BU of 3adu by Molmil
Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate
分子名称: (5-methoxy-1H-indol-3-yl)acetic acid, Peroxisome proliferator-activated receptor gamma
著者Waku, T, Shiraki, T, Oyama, T, Morikawa, K.
登録日2010-01-29
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites
Embo J., 29, 2010
3B6A
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BU of 3b6a by Molmil
Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with actinorhodin
分子名称: 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid, ActR protein
著者Willems, A.R, Junop, M.S.
登録日2007-10-28
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA.
J.Mol.Biol., 376, 2008
3CWD
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Molecular recognition of nitro-fatty acids by PPAR gamma
分子名称: (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid, (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid, Peroxisome proliferator-activated receptor gamma, ...
著者Martynowski, D, Li, Y.
登録日2008-04-21
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular recognition of nitrated fatty acids by PPAR gamma.
Nat.Struct.Mol.Biol., 15, 2008
2AR0
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BU of 2ar0 by Molmil
Crystal structure of Type I restriction enzyme EcoKI M protein (EC 2.1.1.72) (M.EcoKI)
分子名称: Type I restriction enzyme EcoKI M protein, UNKNOWN ATOM OR ION
著者Rajashankar, K.R, Kniewel, R, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2005-08-18
公開日2005-08-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Type I restriction enzyme EcoKI M protein (EC 2.1.1.72) (M.EcoKI).
To be Published
4FV2
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Crystal Structure of the ERK2 complexed with EK5
分子名称: 1,2-ETHANEDIOL, 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK5
TO BE PUBLISHED
3B3K
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Crystal structure of the complex between PPARgamma and the full agonist LT175
分子名称: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C.
登録日2007-10-22
公開日2008-10-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 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
3BC5
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X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
分子名称: (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma
著者Muckelbauer, J.K.
登録日2007-11-12
公開日2008-11-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19, 2009

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