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2YKB
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BU of 2ykb by Molmil
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
2YKC
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BU of 2ykc by Molmil
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
2YKE
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BU of 2yke by Molmil
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
2YKI
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BU of 2yki by Molmil
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
3ZW1
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BU of 3zw1 by Molmil
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
4I6S
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BU of 4i6s by Molmil
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
8UCB
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BU of 8ucb by Molmil
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
8UCC
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BU of 8ucc by Molmil
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
8E2W
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BU of 8e2w by Molmil
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
4O6E
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BU of 4o6e by Molmil
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
4QUC
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BU of 4quc by Molmil
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
4QUF
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BU of 4quf by Molmil
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
3CTB
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BU of 3ctb by Molmil
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
3NS7
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BU of 3ns7 by Molmil
Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
Descriptor: (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid, Caspase-1
Authors:Galatsis, P.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).
Bioorg.Med.Chem.Lett., 20, 2010
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數據於2024-07-31公開中

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