2YKB
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![BU of 2ykb by Molmil](/molmil-images/mine/2ykb) | Tricyclic series of Hsp90 inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-SUCCINAMIDE | Authors: | Dupuy, A, Vallee, F. | Deposit date: | 2011-05-26 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YKC
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![BU of 2ykc by Molmil](/molmil-images/mine/2ykc) | Tricyclic series of Hsp90 inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL-ISONICOTINAMIDE | Authors: | Dupuy, A, Vallee, F. | Deposit date: | 2011-05-26 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YKE
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![BU of 2yke by Molmil](/molmil-images/mine/2yke) | Tricyclic series of Hsp90 inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide | Authors: | Dupuy, A, Vallee, F. | Deposit date: | 2011-05-26 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YKI
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![BU of 2yki by Molmil](/molmil-images/mine/2yki) | Tricyclic series of Hsp90 inhibitors | Descriptor: | 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Dupuy, A, Vallee, F. | Deposit date: | 2011-05-27 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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3ZW1
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![BU of 3zw1 by Molmil](/molmil-images/mine/3zw1) | Structure of Bambl lectine in complex with lewix x antigen | Descriptor: | BAMBL LECTIN, alpha-D-galactopyranose, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, Lependu, J, Romer, W, Varrot, A, Imberty, A. | Deposit date: | 2011-07-28 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Deciphering the Glycan Preference of Bacterial Lectins by Glycan Array and Molecular Docking with Validation by Microcalorimetry and Crystallography. Plos One, 8, 2013
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4I6S
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![BU of 4i6s by Molmil](/molmil-images/mine/4i6s) | Structure of RSL mutant W76A in complex with L-fucose | Descriptor: | 1,2-ETHANEDIOL, Putative fucose-binding lectin protein, TETRAETHYLENE GLYCOL, ... | Authors: | Audfray, A, Arnaud, J, Varrot, A, Imberty, A. | Deposit date: | 2012-11-30 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Reduction of lectin valency drastically changes glycolipid dynamics in membranes but not surface avidity Acs Chem.Biol., 8, 2013
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8UCB
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![BU of 8ucb by Molmil](/molmil-images/mine/8ucb) | IRAK4 in complex with compound 8 | Descriptor: | 6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Metrick, C.M, Chodaparambil, J.V. | Deposit date: | 2023-09-26 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke. J.Med.Chem., 67, 2024
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8UCC
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![BU of 8ucc by Molmil](/molmil-images/mine/8ucc) | IRAK4 in complex with compound 20 | Descriptor: | (4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Metrick, C.M, Chodaparambil, J.V. | Deposit date: | 2023-09-26 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke. J.Med.Chem., 67, 2024
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8E2W
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![BU of 8e2w by Molmil](/molmil-images/mine/8e2w) | Structure of CRISPR-Associated DinG | Descriptor: | CasDinG | Authors: | Domgaard, H, Jackson, R.N. | Deposit date: | 2022-08-16 | Release date: | 2023-06-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | CasDinG is a 5'-3' dsDNA and RNA/DNA helicase with three accessory domains essential for type IV CRISPR immunity. Nucleic Acids Res., 51, 2023
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4O6E
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![BU of 4o6e by Molmil](/molmil-images/mine/4o6e) | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | Descriptor: | Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | Authors: | Yin, J, Wang, W. | Deposit date: | 2013-12-20 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2. Bioorg.Med.Chem.Lett., 24, 2014
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4QUC
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![BU of 4quc by Molmil](/molmil-images/mine/4quc) | Crystal structure of chromodomain of Rhino | Descriptor: | RE36324p | Authors: | Li, S, Patel, D.J. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing. Genes Dev., 28, 2014
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4QUF
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![BU of 4quf by Molmil](/molmil-images/mine/4quf) | crystal structure of chromodomain of Rhino with H3K9me3 | Descriptor: | H3(1-15)K9me3 peptide, RE36324p | Authors: | Li, S, Patel, D.J. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing. Genes Dev., 28, 2014
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3CTB
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![BU of 3ctb by Molmil](/molmil-images/mine/3ctb) | Tethered PXR-LBD/SRC-1p apoprotein | Descriptor: | Pregnane X receptor, Linker, Steroid receptor coactivator 1 | Authors: | Lesburg, C.A. | Deposit date: | 2008-04-11 | Release date: | 2008-12-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Construction and characterization of a fully active PXR/SRC-1 tethered protein with increased stability Protein Eng.Des.Sel., 21, 2008
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3NS7
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![BU of 3ns7 by Molmil](/molmil-images/mine/3ns7) | |