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PDB: 321 results

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:2024-09-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of HgmTad2 complexed with 1',2'-cADPR
To Be Published
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
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of CbTad1 complexed with 2',3'-cGAMP
To Be Published
8KBC
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BU of 8kbc by Molmil
Structure of CmTad1 complexed with cAAA
Descriptor: (2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE, Thoeris anti-defense 1, ZINC ION
Authors:Xiao, Y, Feng, Y.
Deposit date:2023-08-04
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of CmTad1 complexed with cAAA
To Be Published
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
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of AcrIIA7 complexed with cGG
To Be Published
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
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of CbTad1 complexed with 2',3'-cGAMP and cA3
To Be Published
7SWF
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BU of 7swf by Molmil
Cryo-EM structure of Arabidopsis Ago10-guide-target RNA complex in a central duplex conformation
Descriptor: MAGNESIUM ION, Protein argonaute 10, RNA (5'-R(P*CP*CP*AP*UP*UP*GP*UP*CP*AP*CP*AP*CP*UP*CP*CP*AP*A)-3'), ...
Authors:Xiao, Y, MacRae, I.J.
Deposit date:2021-11-19
Release date:2022-08-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:The molecular mechanism of microRNA duplex selectivity of Arabidopsis ARGONAUTE10.
Nucleic Acids Res., 50, 2022
7SWQ
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BU of 7swq by Molmil
Cryo-EM structure of Arabidopsis Ago10-guide-target RNA complex in a bent duplex conformation
Descriptor: MAGNESIUM ION, Protein argonaute 10, RNA (5'-R(P*CP*CP*AP*UP*UP*GP*UP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), ...
Authors:Xiao, Y, MacRae, I.J.
Deposit date:2021-11-21
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Structural basis for RNA slicing by a plant Argonaute.
Nat.Struct.Mol.Biol., 30, 2023
7SVA
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BU of 7sva by Molmil
Cryo-EM structure of Arabidopsis Ago10-guide RNA complex
Descriptor: MAGNESIUM ION, Protein argonaute 10, RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
Authors:Xiao, Y, MacRae, I.J.
Deposit date:2021-11-18
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis for RNA slicing by a plant Argonaute.
Nat.Struct.Mol.Biol., 30, 2023
5XVN
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BU of 5xvn by Molmil
E. far Cas1-Cas2/prespacer binary complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
Authors:Xiao, Y, Ng, S, Nam, K.H, Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
5XVP
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BU of 5xvp by Molmil
E. fae Cas1-Cas2/prespacer/target ternary complex revealing the fully integrated states
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(P*TP*TP*CP*TP*CP*CP*GP*AP*G)-3'), ...
Authors:Xiao, Y, Ng, S, Nam, K.H, Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
5XVO
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BU of 5xvo by Molmil
E. fae Cas1-Cas2/prespacer/target ternary complex revealing DNA sampling and half-integration states
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
Authors:Xiao, Y, Ng, S, Nam, K.H, Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
2AMN
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BU of 2amn by Molmil
Solution structure of Fowlicidin-1, a novel Cathelicidin antimicrobial peptide from chicken
Descriptor: cathelicidin
Authors:Xiao, Y, Dai, H, Bommineni, Y.R, Prakash, O, Zhang, G.
Deposit date:2005-08-09
Release date:2006-07-18
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structure-activity relationships of fowlicidin-1, a cathelicidin antimicrobial peptide in chicken.
Febs J., 273, 2006
3QC7
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BU of 3qc7 by Molmil
The structure of bacteriophage phi29 head fibers has a supercoiled triple repeating helix-turn-helix motif
Descriptor: Head fiber protein
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2011-01-15
Release date:2011-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure of bacteriophage {phi}29 head fibers has a supercoiled triple repeating helix-turn-helix motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
3R02
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BU of 3r02 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
Descriptor: 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
Authors:Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3SUC
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BU of 3suc by Molmil
Crystal structure of the pre-mature bacteriophage phi29 gene product 12
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2011-07-11
Release date:2011-08-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic Insights Into the Autocatalytic Assembly Mechanism of a Bacteriophage Tail Spike
Mol.Cell, 34, 2009
3UB0
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BU of 3ub0 by Molmil
Crystal structure of the nonstructural protein 7 and 8 complex of Feline Coronavirus
Descriptor: Non-structural protein 6, nsp6,, Non-structural protein 7, ...
Authors:Xiao, Y, Hilgenfeld, R, Ma, Q.
Deposit date:2011-10-22
Release date:2012-02-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nonstructural proteins 7 and 8 of feline coronavirus form a 2:1 heterotrimer that exhibits primer-independent RNA polymerase activity.
J.Virol., 86, 2012
3R04
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BU of 3r04 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
Descriptor: 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
Authors:Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3CSZ
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BU of 3csz by Molmil
Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail
Descriptor: 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, Morphogenesis protein 1
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2008-04-10
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CT5
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BU of 3ct5 by Molmil
Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail
Descriptor: 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, Morphogenesis protein 1
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2008-04-11
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CSR
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BU of 3csr by Molmil
Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail
Descriptor: Morphogenesis protein 1
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2008-04-10
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CT1
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BU of 3ct1 by Molmil
Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail
Descriptor: 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, Morphogenesis protein 1
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2008-04-11
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal and cryoEM structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail.
Proc.Natl.Acad.Sci.Usa, 105, 2008
8WJD
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BU of 8wjd by Molmil
Structure of SptTad2 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), SptTad2
Authors:Xiao, Y, Feng, Y.
Deposit date:2023-09-25
Release date:2024-09-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of SptTad2 complexed with cGG
To Be Published
8WJE
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BU of 8wje by Molmil
Structure of apo-SPO1 Tad2
Descriptor: Gp34.65
Authors:Xiao, Y, Feng, Y.
Deposit date:2023-09-25
Release date:2024-09-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure of apo-SPO1 Tad2
To Be Published
8WJC
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BU of 8wjc by Molmil
Structure of AcrIIA7 complexed with 3'3'-cGAMP
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Inhibitor of Type II CRISPR-Cas system
Authors:Xiao, Y, Feng, Y.
Deposit date:2023-09-25
Release date:2024-09-25
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of AcrIIA7 complexed with 3'3'-cGAMP
To Be Published
7WNV
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BU of 7wnv by Molmil
Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9
Descriptor: (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide, Estrogen receptor
Authors:Xiao, Y, Lv, Y.
Deposit date:2022-01-19
Release date:2023-01-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystallography study and optimization of novel benzothiophene analogs as potent selective estrogen receptor covalent antagonists (SERCAs) with improved potency and safety profiles.
Bioorg.Chem., 141, 2023

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