6LVX
 
 | | Crystal structure of TLR7/Cpd-1 (SM-374527) complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one, ... | | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | | Deposit date: | 2020-02-06 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural analysis reveals TLR7 dynamics underlying antagonism.
Nat Commun, 11, 2020
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7BPR
 | | Crystal structure of human TEX101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PLATINUM (II) ION, Testis-expressed protein 101 | | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | | Deposit date: | 2020-03-23 | | Release date: | 2020-07-15 | | Last modified: | 2020-12-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
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7BPS
 | | Crystal structure of mouse TEX101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Testis-expressed protein 101, ... | | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | | Deposit date: | 2020-03-23 | | Release date: | 2020-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
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7BQI
 | | Crystal structure of FYCO1 RUN domain | | Descriptor: | FYVE and coiled-coil domain-containing protein 1 | | Authors: | Sakurai, S, Shimizu, T, Ohto, U. | | Deposit date: | 2020-03-24 | | Release date: | 2020-08-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the FYCO1 RUN domain suggests possible interfaces with small GTPases.
Acta Crystallogr.,Sect.F, 76, 2020
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6LW0
 | | Crystal structure of TLR7/Cpd-6 (DSR-139293) complex | | 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-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine, ... | | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | | Deposit date: | 2020-02-06 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analysis reveals TLR7 dynamics underlying antagonism.
Nat Commun, 11, 2020
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7CRF
 | | Crystal structure of human TLR8 in complex with CU-CPD107 | | Descriptor: | 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | | Authors: | Sakaniwa, K, Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2020-08-13 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Tetrasubstituted imidazoles as incognito Toll-like receptor 8 a(nta)gonists.
Nat Commun, 12, 2021
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5GMF
 | | Crystal structure of monkey TLR7 in complex with guanosine and polyU | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA
Immunity, 45, 2016
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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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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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5WRD
 | | Crystal structure of LC3B in complex with FYCO1 LIR | | Descriptor: | GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B, Peptide from FYVE and coiled-coil domain-containing protein 1 | | Authors: | Sakurai, S, Ohto, U, Shimizu, T. | | Deposit date: | 2016-12-01 | | Release date: | 2017-03-29 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of mouse LC3B in complex with the FYCO1 LIR reveals the importance of the flanking region of the LIR motif
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5GMG
 | | Crystal structure of monkey TLR7 in complex with loxoribine and polyU | | 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-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione, ... | | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA
Immunity, 45, 2016
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5GMH
 | | Crystal structure of monkey TLR7 in complex with R848 | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA
Immunity, 45, 2016
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6LW1
 | | Cryo-EM structure of TLR7/Cpd-7 (DSR-139970) complex in open form | | Descriptor: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine, Toll-like receptor 7 | | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | | Deposit date: | 2020-02-06 | | Release date: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural analysis reveals TLR7 dynamics underlying antagonism.
Nat Commun, 11, 2020
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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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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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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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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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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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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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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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5IRM
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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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5IRN
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5IRL
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7WGE
 | | Human NLRP1 complexed with thioredoxin | | Descriptor: | MAGNESIUM ION, NACHT, LRR and PYD domains-containing protein 1, ... | | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | | Deposit date: | 2021-12-28 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for thioredoxin-mediated suppression of NLRP1 inflammasome.
Nature, 622, 2023
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