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6L5L
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BU of 6l5l by Molmil
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
8KBE
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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
8KBF
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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
8KBB
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BU of 8kbb by Molmil
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
5VOV
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BU of 5vov by Molmil
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
8KBK
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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
8KBL
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BU of 8kbl by Molmil
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
8KBD
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BU of 8kbd by Molmil
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
8KBI
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BU of 8kbi by Molmil
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
8KBJ
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BU of 8kbj by Molmil
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
8KBG
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BU of 8kbg by Molmil
Structure of CbTad1 complexed with 2',3'-cGAMP
Descriptor: 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 (2.37 Å)
Cite:Single phage proteins sequester signals from TIR and CGAS-like enzymes
Nature, 2024
6L5O
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BU of 6l5o by Molmil
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
5QTT
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BU of 5qtt by Molmil
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
8KBM
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BU of 8kbm by Molmil
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
5QTU
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BU of 5qtu by Molmil
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
5QTW
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BU of 5qtw by Molmil
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
8KBH
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BU of 8kbh by Molmil
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
5QTV
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BU of 5qtv by Molmil
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
5QTX
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BU of 5qtx by Molmil
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
5QTY
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BU of 5qty by Molmil
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
6LBD
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BU of 6lbd by Molmil
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
7MLM
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BU of 7mlm by Molmil
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
2JQC
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BU of 2jqc by Molmil
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
8WW2
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BU of 8ww2 by Molmil
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
3Q7L
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BU of 3q7l by Molmil
Crystal structure of the E2 domain of amyloid precursor-like protein 1
Descriptor: Amyloid-like protein 1, SULFATE ION
Authors:Xue, Y, Ha, Y.
Deposit date:2011-01-05
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the E2 Domain of Amyloid Precursor Protein-like Protein 1 in Complex with Sucrose Octasulfate.
J.Biol.Chem., 286, 2011

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