5N20
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![BU of 5n20 by Molmil](/molmil-images/mine/5n20) | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | Descriptor: | 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 | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | 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
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5N1V
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![BU of 5n1v by Molmil](/molmil-images/mine/5n1v) | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | 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
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7QTT
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2NQ3
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![BU of 2nq3 by Molmil](/molmil-images/mine/2nq3) | Crystal structure of the C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase | Descriptor: | CHLORIDE ION, Itchy homolog E3 ubiquitin protein ligase | Authors: | 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) | Deposit date: | 2006-10-30 | Release date: | 2006-11-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase To be Published
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3BLR
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![BU of 3blr by Molmil](/molmil-images/mine/3blr) | Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol | Descriptor: | 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, ... | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | Deposit date: | 2007-12-11 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation Embo J., 27, 2008
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4L62
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6VIL
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6W4K
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![BU of 6w4k by Molmil](/molmil-images/mine/6w4k) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | Descriptor: | 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, ... | Authors: | Hosfield, D.J. | Deposit date: | 2020-03-11 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J.Med.Chem., 63, 2020
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3BLH
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![BU of 3blh by Molmil](/molmil-images/mine/3blh) | Crystal Structure of Human CDK9/cyclinT1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein kinase 9, Cyclin-T1 | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | Deposit date: | 2007-12-11 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation Embo J., 27, 2008
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3C6O
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3C6N
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![BU of 3c6n by Molmil](/molmil-images/mine/3c6n) | Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling | Descriptor: | (2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ... | Authors: | Tan, X, Zheng, N, Hayashi, K. | Deposit date: | 2008-02-04 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4MBE
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![BU of 4mbe by Molmil](/molmil-images/mine/4mbe) | Sac3:Sus1:Cdc31:Nup1 complex | Descriptor: | CALCIUM ION, Cell division control protein 31, Nuclear mRNA export protein SAC3, ... | Authors: | Jani, D, Meineke, B, Stewart, M. | Deposit date: | 2013-08-19 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Structural basis for binding the TREX2 complex to nuclear pores, GAL1 localisation and mRNA export. Nucleic Acids Res., 42, 2014
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3C6P
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3BLQ
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![BU of 3blq by Molmil](/molmil-images/mine/3blq) | Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 9, ... | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | Deposit date: | 2007-12-11 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation Embo J., 27, 2008
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6I9H
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7KWM
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![BU of 7kwm by Molmil](/molmil-images/mine/7kwm) | CtBP1 (28-375) L182F/V185T - AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION | Authors: | Royer, W.E, Del Campo, M. | Deposit date: | 2020-12-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP). J.Biol.Chem., 296, 2021
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5ESC
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6HTS
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![BU of 6hts by Molmil](/molmil-images/mine/6hts) | Cryo-EM structure of the human INO80 complex bound to nucleosome | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Ayala, R, Willhoft, O, Aramayo, R.J, Wilkinson, M, McCormack, E.A, Ocloo, L, Wigley, D.B, Zhang, X. | Deposit date: | 2018-10-04 | Release date: | 2018-11-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure and regulation of the human INO80-nucleosome complex. Nature, 556, 2018
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1SXI
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![BU of 1sxi by Molmil](/molmil-images/mine/1sxi) | Structure of apo transcription regulator B. megaterium | Descriptor: | Glucose-resistance amylase regulator, MAGNESIUM ION | Authors: | Schumacher, M.A, Allen, G.S, Diel, M, Seidel, G, Hillen, W, Brennan, R.G. | Deposit date: | 2004-03-30 | Release date: | 2004-10-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural studies on the apo transcription factor form B. megaterium Cell(Cambridge,Mass.), 118, 2004
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1SXG
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![BU of 1sxg by Molmil](/molmil-images/mine/1sxg) | Structural studies on the apo transcription factor form B. megaterium | Descriptor: | 2-PHENYLAMINO-ETHANESULFONIC ACID, Glucose-resistance amylase regulator | Authors: | Schumacher, M.A, Allen, G.S, Diel, M, Seidel, G, Hillen, W, Brennan, R.G. | Deposit date: | 2004-03-30 | Release date: | 2004-10-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural studies on the apo transcription factor form B. megaterium Cell(Cambridge,Mass.), 118, 2004
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2WA4
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![BU of 2wa4 by Molmil](/molmil-images/mine/2wa4) | FACTOR INHIBITING HIF-1 ALPHA WITH N,3-dihydroxybenzamide | Descriptor: | FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N,3-DIHYDROXYBENZAMIDE, ... | Authors: | Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2009-02-02 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. Bioorg. Med. Chem. Lett., 20, 2010
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2WA3
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![BU of 2wa3 by Molmil](/molmil-images/mine/2wa3) | FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid | Descriptor: | 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR | Authors: | Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2009-02-02 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. Bioorg. Med. Chem. Lett., 20, 2010
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2W0X
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![BU of 2w0x by Molmil](/molmil-images/mine/2w0x) | FACTOR INHIBITING HIF-1 ALPHA WITH PYRIDINE 2,4 DICARBOXYLIC ACID | Descriptor: | FE (II) ION, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, ... | Authors: | Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2008-10-10 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. Bioorg. Med. Chem. Lett., 20, 2010
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8DSY
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![BU of 8dsy by Molmil](/molmil-images/mine/8dsy) | PPARg bound to inverse agonist H3B-343 | Descriptor: | Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | Authors: | Larsen, N.A. | Deposit date: | 2022-07-24 | Release date: | 2022-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists. J.Biol.Chem., 298, 2022
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1H9U
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![BU of 1h9u by Molmil](/molmil-images/mine/1h9u) | The structure of the human retinoid-X-receptor beta ligand binding domain in complex with the specific synthetic agonist LG100268 | Descriptor: | 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, ... | Authors: | Schwabe, J.W.R, Love, J.D, Gooch, J.T. | Deposit date: | 2001-03-21 | Release date: | 2002-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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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