6L5L
| Crystal structure of human DEAD-box RNA helicase DDX21 at apo state | Descriptor: | MAGNESIUM ION, Nucleolar RNA helicase 2 | Authors: | Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X. | Deposit date: | 2019-10-24 | Release date: | 2020-06-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation. Adv Sci, 7, 2020
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8KBE
| Structure of CbTad1 complexed with 1',3'-cADPR | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, Thoeris anti-defense 1 | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-07 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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8KBF
| Structure of CbTad1 complexed with 1',3'-cADPR and cA3 | Descriptor: | (2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE, (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, Thoeris anti-defense 1 | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-07 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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8KBB
| Structure of apo-CmTad1 | Descriptor: | Thoeris anti-defense 1, ZINC ION | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-07 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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5VOV
| Structure of AMPA receptor-TARP complex | Descriptor: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | Authors: | Zhao, Y, Chen, S, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E. | Deposit date: | 2017-05-03 | Release date: | 2017-07-12 | Last modified: | 2024-10-30 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM. Cell, 170, 2017
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8KBK
| Structure of AcrIIA7 complexed with 1',2'-cADPR and cGG | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Inhibitor of Type II CRISPR-Cas system | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-07 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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8KBL
| Structure of AcrIIA7 complexed with 1',3'-cADPR and cGG | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Inhibitor of Type II CRISPR-Cas system | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-07 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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8KBD
| Structure of CmTad1 complexed with cAAG | Descriptor: | Thoeris anti-defense 1, ZINC ION, cAAG | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-07 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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8KBI
| Structure of apo-AcrIIA7 | Descriptor: | Inhibitor of Type II CRISPR-Cas system | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-07 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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8KBJ
| Structure of HgmTad2 complexed with 1',2'-cADPR | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Inhibitor of Type II CRISPR-Cas system | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-21 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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8KBG
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6L5O
| Crystal structure of human DEAD-box RNA helicase DDX21 at post-hydrolysis state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X. | Deposit date: | 2019-10-24 | Release date: | 2020-06-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation. Adv Sci, 7, 2020
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5QTT
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-10-16 | Release date: | 2019-12-25 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63, 2019
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8KBM
| Structure of AcrIIA7 complexed with cGG | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Inhibitor of Type II CRISPR-Cas system | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-07 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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5QTU
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-10-16 | Release date: | 2019-12-25 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63, 2019
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5QTW
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-11-13 | Release date: | 2020-01-29 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
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8KBH
| Structure of CbTad1 complexed with 2',3'-cGAMP and cA3 | Descriptor: | (2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE, Thoeris anti-defense 1, cGAMP | Authors: | Xiao, Y, Feng, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-08-21 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Single phage proteins sequester signals from TIR and CGAS-like enzymes Nature, 2024
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5QTV
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-11-13 | Release date: | 2020-01-29 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
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5QTX
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-11-13 | Release date: | 2020-01-29 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
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5QTY
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-11-13 | Release date: | 2020-01-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
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6LBD
| shrimp ferritin T158R G159R | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin | Authors: | Zhao, G, Chen, H. | Deposit date: | 2019-11-14 | Release date: | 2020-11-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.386 Å) | Cite: | Construction of thermally robust and porous shrimp ferritin crystalline for molecular encapsulation through intermolecular arginine-arginine attractions. Food Chem, 349, 2021
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7MLM
| Crystal structure of mouse TLR4/MD-2 in complex with sulfatides | 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-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Su, L, Beutler, B. | Deposit date: | 2021-04-28 | Release date: | 2021-07-28 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Sulfatides are endogenous ligands for the TLR4-MD-2 complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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2JQC
| A L-amino acid mutant of a D-amino acid containing conopeptide | Descriptor: | L-mr12 | Authors: | Huang, F, Du, W, Han, Y, Wang, C, Chi, C. | Deposit date: | 2007-05-31 | Release date: | 2008-04-15 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus Febs J., 275, 2008
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8WW2
| GPR3/Gs complex | Descriptor: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | He, Y, Xiong, Y. | Deposit date: | 2023-10-24 | Release date: | 2024-02-14 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Identification of oleic acid as an endogenous ligand of GPR3. Cell Res., 34, 2024
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3Q7L
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