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5N20
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BU of 5n20 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1V
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BU of 5n1v by Molmil
Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
7QTT
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BU of 7qtt by Molmil
Structural organization of a late activated human spliceosome (Baqr, core region)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ...
著者Cretu, C, Pena, V.
登録日2022-01-15
公開日2023-05-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of catalytic activation in human splicing.
Nature, 617, 2023
2NQ3
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BU of 2nq3 by Molmil
Crystal structure of the C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
分子名称: CHLORIDE ION, Itchy homolog E3 ubiquitin protein ligase
著者Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-10-30
公開日2006-11-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
To be Published
3BLR
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BU of 3blr by Molmil
Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol
分子名称: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Cell division protein kinase 9, Cyclin-T1, ...
著者Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
登録日2007-12-11
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
4L62
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BU of 4l62 by Molmil
Crystal Structure of Pseudomonas aeruginosa transcriptional regulator PA2196 bound to its operator DNA
分子名称: DNA (25-MER), Transcriptional regulator
著者Choe, J.W, Kim, Y.W.
登録日2013-06-11
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of Pseudomonas aeruginosa transcriptional regulator PA2196 bound to its operator DNA.
Biochem.Biophys.Res.Commun., 440, 2013
6VIL
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BU of 6vil by Molmil
Crystal structure of mouse BAHCC1 BAH domain in complex with H3K27me3
分子名称: BAH and coiled-coil domain-containing protein 1, Histone H3.1
著者Song, J, Lu, J.
登録日2020-01-13
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献BAHCC1 binds H3K27me3 via a conserved BAH module to mediate gene silencing and oncogenesis.
Nat.Genet., 52, 2020
6W4K
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BU of 6w4k by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011
分子名称: 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
著者Hosfield, D.J.
登録日2020-03-11
公開日2020-10-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).
J.Med.Chem., 63, 2020
3BLH
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BU of 3blh by Molmil
Crystal Structure of Human CDK9/cyclinT1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein kinase 9, Cyclin-T1
著者Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
登録日2007-12-11
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
3C6O
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BU of 3c6o by Molmil
Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
分子名称: (2S)-2-(1H-indol-3-yl)hexanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
著者Tan, X.
登録日2008-02-04
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C6N
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BU of 3c6n by Molmil
Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
分子名称: (2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
著者Tan, X, Zheng, N, Hayashi, K.
登録日2008-02-04
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4MBE
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BU of 4mbe by Molmil
Sac3:Sus1:Cdc31:Nup1 complex
分子名称: CALCIUM ION, Cell division control protein 31, Nuclear mRNA export protein SAC3, ...
著者Jani, D, Meineke, B, Stewart, M.
登録日2013-08-19
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.612 Å)
主引用文献Structural basis for binding the TREX2 complex to nuclear pores, GAL1 localisation and mRNA export.
Nucleic Acids Res., 42, 2014
3C6P
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BU of 3c6p by Molmil
Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
分子名称: (2S)-2-(1H-indol-3-yl)pentanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
著者Tan, X.
登録日2008-02-04
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BLQ
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BU of 3blq by Molmil
Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 9, ...
著者Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
登録日2007-12-11
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
6I9H
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BU of 6i9h by Molmil
Solution structure of TRIM28 RING domain
分子名称: Transcription intermediary factor 1-beta, ZINC ION
著者Stevens, R.V, Esposito, D, Rittinger, K.
登録日2018-11-23
公開日2019-05-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Characterisation of class VI TRIM RING domains: linking RING activity to C-terminal domain identity.
Life Sci Alliance, 2, 2019
7KWM
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BU of 7kwm by Molmil
CtBP1 (28-375) L182F/V185T - AMP
分子名称: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION
著者Royer, W.E, Del Campo, M.
登録日2020-12-01
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
5ESC
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BU of 5esc by Molmil
Crystal structure of Group A Streptococcus HupZ
分子名称: HupZ
著者Agniswamy, J, Weber, I.T.
登録日2015-11-16
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In vitro heme biotransformation by the HupZ enzyme from Group A streptococcus.
Biometals, 29, 2016
6HTS
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BU of 6hts by Molmil
Cryo-EM structure of the human INO80 complex bound to nucleosome
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ...
著者Ayala, R, Willhoft, O, Aramayo, R.J, Wilkinson, M, McCormack, E.A, Ocloo, L, Wigley, D.B, Zhang, X.
登録日2018-10-04
公開日2018-11-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure and regulation of the human INO80-nucleosome complex.
Nature, 556, 2018
1SXI
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BU of 1sxi by Molmil
Structure of apo transcription regulator B. megaterium
分子名称: Glucose-resistance amylase regulator, MAGNESIUM ION
著者Schumacher, M.A, Allen, G.S, Diel, M, Seidel, G, Hillen, W, Brennan, R.G.
登録日2004-03-30
公開日2004-10-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural studies on the apo transcription factor form B. megaterium
Cell(Cambridge,Mass.), 118, 2004
1SXG
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BU of 1sxg by Molmil
Structural studies on the apo transcription factor form B. megaterium
分子名称: 2-PHENYLAMINO-ETHANESULFONIC ACID, Glucose-resistance amylase regulator
著者Schumacher, M.A, Allen, G.S, Diel, M, Seidel, G, Hillen, W, Brennan, R.G.
登録日2004-03-30
公開日2004-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural studies on the apo transcription factor form B. megaterium
Cell(Cambridge,Mass.), 118, 2004
2WA4
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BU of 2wa4 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH N,3-dihydroxybenzamide
分子名称: FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N,3-DIHYDROXYBENZAMIDE, ...
著者Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
登録日2009-02-02
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
2WA3
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BU of 2wa3 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid
分子名称: 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR
著者Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
登録日2009-02-02
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
2W0X
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BU of 2w0x by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH PYRIDINE 2,4 DICARBOXYLIC ACID
分子名称: FE (II) ION, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, ...
著者Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
登録日2008-10-10
公開日2009-11-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
8DSY
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BU of 8dsy by Molmil
PPARg bound to inverse agonist H3B-343
分子名称: Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid
著者Larsen, N.A.
登録日2022-07-24
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
1H9U
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BU of 1h9u by Molmil
The structure of the human retinoid-X-receptor beta ligand binding domain in complex with the specific synthetic agonist LG100268
分子名称: 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, CHLORIDE ION, NICKEL (II) ION, ...
著者Schwabe, J.W.R, Love, J.D, Gooch, J.T.
登録日2001-03-21
公開日2002-04-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Structural Basis for the Specificity of Retinoid-X Receptor-Selective Agonists: New Insights Into the Role of Helix H12
J.Biol.Chem., 277, 2002

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