3WN4
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![BU of 3wn4 by Molmil](/molmil-images/mine/3wn4) | Crystal structure of human TLR8 in complex with DS-877 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butylfuro[2,3-c]quinolin-4-amine, Toll-like receptor 8, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2013-12-02 | Release date: | 2014-02-19 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-based design of novel human Toll-like receptor 8 agonists. Chemmedchem, 9, 2014
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4R0A
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![BU of 4r0a by Molmil](/molmil-images/mine/4r0a) | Crystal structure of human TLR8 in complex with uridine mononucleoside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-07-30 | Release date: | 2015-01-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Toll-like receptor 8 senses degradation products of single-stranded RNA. Nat.Struct.Mol.Biol., 22, 2015
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3W3J
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![BU of 3w3j by Molmil](/molmil-images/mine/3w3j) | Crystal structure of human TLR8 in complex with CL097 | Descriptor: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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4R07
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![BU of 4r07 by Molmil](/molmil-images/mine/4r07) | Crystal structure of human TLR8 in complex with ORN06 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate), ... | Authors: | Tanji, H, Ohto, U, Shibata, T, Taoka, M, Yamauchi, Y, Isobe, T, Miyake, K, Shimizu, T. | Deposit date: | 2014-07-30 | Release date: | 2015-01-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Toll-like receptor 8 senses degradation products of single-stranded RNA Nat.Struct.Mol.Biol., 22, 2015
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4QBZ
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![BU of 4qbz by Molmil](/molmil-images/mine/4qbz) | Crystal structure of human TLR8 in complex with DS-802 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-05-09 | Release date: | 2014-10-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Determinants of Activity at Human Toll-like Receptors 7 and 8: Quantitative Structure-Activity Relationship (QSAR) of Diverse Heterocyclic Scaffolds J.Med.Chem., 57, 2014
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5AWD
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![BU of 5awd by Molmil](/molmil-images/mine/5awd) | Crystal structure of human TLR8 in complex with N1-4-aminomethylbenzyl (IMDQ) | Descriptor: | 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2015-07-03 | Release date: | 2015-09-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Design of Human TLR8-Specific Agonists with Augmented Potency and Adjuvanticity. J.Med.Chem., 58, 2015
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5AWB
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![BU of 5awb by Molmil](/molmil-images/mine/5awb) | Crystal structure of human TLR8 in complex with N1-3-aminomethylbenzyl (meta-amine) | Descriptor: | 1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2015-07-03 | Release date: | 2015-09-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of Human TLR8-Specific Agonists with Augmented Potency and Adjuvanticity. J.Med.Chem., 58, 2015
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3W3N
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![BU of 3w3n by Molmil](/molmil-images/mine/3w3n) | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 3 | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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4R6A
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![BU of 4r6a by Molmil](/molmil-images/mine/4r6a) | Crystal structure of human TLR8 in complex with Hybrid-2 | Descriptor: | 1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-08-22 | Release date: | 2015-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Hybrid-2: AnImidazoquinoline Dual Toll-like receptor 7/8 Agonist that Potently Activates Cytokine Production by Human Newborn and Adult Leukocytes To be Published
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4QC0
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![BU of 4qc0 by Molmil](/molmil-images/mine/4qc0) | Crystal structure of human TLR8 in complex with XG-1-236 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine, Toll-like receptor 8, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-05-09 | Release date: | 2014-10-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determinants of Activity at Human Toll-like Receptors 7 and 8: Quantitative Structure-Activity Relationship (QSAR) of Diverse Heterocyclic Scaffolds J.Med.Chem., 57, 2014
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5AWA
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![BU of 5awa by Molmil](/molmil-images/mine/5awa) | Crystal structure of human TLR8 in complex with MB-568 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2015-07-03 | Release date: | 2016-07-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based Design of Human TLR8-specific Agonists with Augmented Potency and Adjuvanticity To Be Published
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3W3G
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![BU of 3w3g by Molmil](/molmil-images/mine/3w3g) | Crystal structure of human TLR8 (unliganded form) | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-21 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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3W3K
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![BU of 3w3k by Molmil](/molmil-images/mine/3w3k) | Crystal structure of human TLR8 in complex with CL075 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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5WYZ
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![BU of 5wyz by Molmil](/molmil-images/mine/5wyz) | Crystal structure of human TLR8 in complex with CU-CPT9b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-01-16 | Release date: | 2017-12-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule inhibition of TLR8 through stabilization of its resting state Nat. Chem. Biol., 14, 2018
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3W3L
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![BU of 3w3l by Molmil](/molmil-images/mine/3w3l) | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 1 | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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4R08
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![BU of 4r08 by Molmil](/molmil-images/mine/4r08) | Crystal structure of human TLR8 in complex with ssRNA40 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate), ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-07-30 | Release date: | 2015-01-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Toll-like receptor 8 senses degradation products of single-stranded RNA. Nat.Struct.Mol.Biol., 22, 2015
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5AZ5
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![BU of 5az5 by Molmil](/molmil-images/mine/5az5) | Crystal structure of human TLR8 in complex with MB-343 | Descriptor: | 1-pentyl-4-phenyl-imidazol-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2015-09-27 | Release date: | 2016-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human TLR8 in complex with MB-343 To Be Published
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5WYX
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![BU of 5wyx by Molmil](/molmil-images/mine/5wyx) | Crystal structure of human TLR8 in complex with CU-CPT8m | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-01-16 | Release date: | 2017-12-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small-molecule inhibition of TLR8 through stabilization of its resting state Nat. Chem. Biol., 14, 2018
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6ZJZ
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![BU of 6zjz by Molmil](/molmil-images/mine/6zjz) | Discovery of M5049: a novel selective TLR7/8 inhibitor for treatment of autoimmunity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile, FORMIC ACID, ... | Authors: | Musil, D, Lehman, M, Strauss, J. | Deposit date: | 2020-06-29 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.489 Å) | Cite: | Discovery of M5049: A Novel Selective Toll-Like Receptor 7/8 Inhibitor for Treatment of Autoimmunity. J.Pharmacol.Exp.Ther., 376, 2021
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5AWC
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![BU of 5awc by Molmil](/molmil-images/mine/5awc) | Crystal structure of human TLR8 in complex with MB-564 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2015-07-03 | Release date: | 2016-07-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based Design of Human TLR8-specific Agonists with Augmented Potency and Adjuvanticity To Be Published
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6WML
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![BU of 6wml by Molmil](/molmil-images/mine/6wml) | Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod) | Descriptor: | (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L. | Deposit date: | 2020-04-21 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B. J.Med.Chem., 63, 2020
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5HDH
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![BU of 5hdh by Molmil](/molmil-images/mine/5hdh) | Crystal structure of human TLR8 with an uncleaved Z-loop | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2016-01-05 | Release date: | 2016-03-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Autoinhibition and relief mechanism by the proteolytic processing of Toll-like receptor 8 Proc.Natl.Acad.Sci.USA, 113, 2016
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4R09
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![BU of 4r09 by Molmil](/molmil-images/mine/4r09) | Crystal structure of human TLR8 in complex with ORN06S | Descriptor: | 1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-07-30 | Release date: | 2015-01-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Toll-like receptor 8 senses degradation products of single-stranded RNA. Nat.Struct.Mol.Biol., 22, 2015
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6V9U
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![BU of 6v9u by Molmil](/molmil-images/mine/6v9u) | Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 14c | Descriptor: | 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Critton, D.A. | Deposit date: | 2019-12-16 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of Potent and Orally Bioavailable Small Molecule Antagonists of Toll-like Receptors 7/8/9 (TLR7/8/9). Acs Med.Chem.Lett., 11, 2020
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3W3M
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![BU of 3w3m by Molmil](/molmil-images/mine/3w3m) | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 2 | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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