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PDB: 89 results

2A43
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Crystal Structure of a Luteoviral RNA Pseudoknot and Model for a Minimal Ribosomal Frameshifting Motif
Descriptor: MAGNESIUM ION, RNA Pseudoknot
Authors:Pallan, P.S, Marshall, W.S, Harp, J, Jewett III, F.C, Wawrzak, Z, Brown II, B.A, Rich, A, Egli, M.
Deposit date:2005-06-27
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal Structure of a Luteoviral RNA Pseudoknot and Model for a Minimal Ribosomal Frameshifting Motif
Biochemistry, 44, 2005
3P4A
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2'Fluoro modified RNA octamer fA2U2
Descriptor: 2'Fluoro modified RNA 8-MER, MAGNESIUM ION, STRONTIUM ION
Authors:Manoharan, M, Akinc, A, Pandey, R.K, Qin, J, Hadwiger, P, John, M, Mills, K, Charisse, K, Maier, M.A, Nechev, L, Greene, E.M, Pallan, P.S, Rozners, E, Rajeev, K.G, Egli, M.
Deposit date:2010-10-06
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Unexpected origins of the enhanced pairing affinity of 2'-fluoro-modified RNA.
Nucleic Acids Res., 39, 2011
3I8D
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The Pairing Geometry of the Hydrophobic Thymine Analog 2,4-Difluorotoluene in Duplex DNA as Analyzed by X-ray Crystallography
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*(DFT)P*CP*GP*CP*G)-3', GLYCEROL, Ribonuclease H
Authors:Egli, M, Pallan, P.S.
Deposit date:2009-07-09
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Pairing geometry of the hydrophobic thymine analogue 2,4-difluorotoluene in duplex DNA as analyzed by X-ray crystallography.
J.Am.Chem.Soc., 131, 2009
3HR3
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Interplay of Structure, Hydration and Thermal Stability in Formacetal Modified Oligonucleotides: RNA May Tolerate Hydrophobic Modifications Better than DNA
Descriptor: 5'-D(*GP*CP*GP*(US4)P*(OMU))P*AP*CP*GP*C)-3'
Authors:Egli, M, Pallan, P.S.
Deposit date:2009-06-08
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Interplay of structure, hydration and thermal stability in formacetal modified oligonucleotides: RNA may tolerate nonionic modifications better than DNA.
J.Am.Chem.Soc., 131, 2009
7UCR
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Joint X-ray/neutron structure of the Sarcin-Ricin loop RNA
Descriptor: SULFATE ION, Sarcin-Ricin loop RNA
Authors:Harp, J.M, Egli, M.E, Pallan, P.S, Coates, L.
Deposit date:2022-03-17
Release date:2022-07-20
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION
Cite:Cryo neutron crystallography demonstrates influence of RNA 2'-OH orientation on conformation, sugar pucker and water structure.
Nucleic Acids Res., 50, 2022
7JJF
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Sarcin-ricin loop with modified residue.
Descriptor: MAGNESIUM ION, RNA/DNA (27-mer)
Authors:Harp, J.M, Pallan, P.S, Egli, M.
Deposit date:2020-07-25
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
2H9S
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Crystal Structure of Homo-DNA and Nature's Choice of Pentose over Hexose in the Genetic System
Descriptor: 5'-D(*(XCT)P*(XGU)P*(XAD)P*(XAD)P*(XTH)P*(XTH)P*(XCT)P*(XGU))-3', MAGNESIUM ION
Authors:Egli, M, Pallan, P.S.
Deposit date:2006-06-11
Release date:2006-12-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of homo-DNA and nature's choice of pentose over hexose in the genetic system.
J.Am.Chem.Soc., 128, 2006
4DKZ
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Hairpin structure of a DNA dodecamer containing North-methanocarba-2'-deoxythymidine
Descriptor: Synthetic DNA dodecamer containg North-methanocarba-2'-deoxythymidine (N-MCdT)
Authors:Egli, M, Pallan, P.S.
Deposit date:2012-02-05
Release date:2012-03-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Conformationally Constrained N-Methanocarba-dT Analogue Adopts an Unexpected C4'-exo Sugar Pucker in the Structure of a DNA Hairpin.
Biochemistry, 51, 2012
3EY1
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A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*(USM)P*(USM)P*CP*GP*CP*G)-3', GLYCEROL, Ribonuclease H
Authors:Egli, M, Pallan, P.S.
Deposit date:2008-10-17
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
3EY2
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A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
Descriptor: 5'-D(*GP*CP*GP*TP*AP*(USM)P*AP*CP*GP*C)-3', N-methylpropane-1,3-diamine
Authors:Egli, M, Pallan, P.S.
Deposit date:2008-10-17
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
3EY3
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A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-D(*CP*GP*CP*GP*AP*AP*(USM)P*(USM)P*CP*GP*CP*G)-3', STRONTIUM ION
Authors:Egli, M, Pallan, P.S.
Deposit date:2008-10-17
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
2M11
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Structure of perimidinone-derived synthetic nucleoside paired with guanine in DNA duplex
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(D3N)P*GP*CP*G)-3')
Authors:Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P.
Deposit date:2012-11-09
Release date:2013-06-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.
Nucleic Acids Res., 41, 2013
2VA3
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Complex structure of Sulfolobus solfataricus DPO4 and DNA duplex containing a hydrophobic thymine isostere 2,4-difluorotoluene nucleotide in the template strand
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *CP*TP*A)-3', 5'-D(*TP*TP*CP*AP*DFTP*TP*AP*GP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Irimia, A, Pallan, P.S, Egli, M.
Deposit date:2007-08-28
Release date:2007-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structure and Activity of Y-Class DNA Polymerase Dpo4 from Sulfolobus Solfataricus with Templates Containing the Hydrophobic Thymine Analog 2,4-Difluorotoluene.
J.Biol.Chem., 282, 2007
2VA2
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Complex structure of Sulfolobus solfataricus DPO4 and DNA duplex containing a hydrophobic thymine isostere 2,4-difluorotoluene nucleotide in the template strand
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *CP*TP*A)-3', 5'-D(*TP*TP*CP*AP*GP*DFTP*AP*GP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Irimia, A, Pallan, P.S, Egli, M.
Deposit date:2007-08-28
Release date:2007-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and Activity of Y-Class DNA Polymerase Dpo4 from Sulfolobus Solfataricus with Templates Containing the Hydrophobic Thymine Analog 2,4- Difluorotoluene.
J.Biol.Chem., 282, 2007
2Q1O
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Crystal Structure Analysis of the RNA Dodecamer CGC-NF2-AAUUGGCG, with an Incorporated 2,4-Difluorotoluyl Residue (NF2)
Descriptor: RNA (5'-R(*CP*GP*CP*(NF2)P*AP*AP*UP*UP*GP*GP*CP*G)-3')
Authors:Li, F, Pallan, P.S.
Deposit date:2007-05-25
Release date:2007-10-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure, stability and in vitro RNAi activity of oligoribonucleotides containing the ribo-difluorotoluyl nucleotide: insights into substrate requirements by the human RISC Ago2 enzyme.
Nucleic Acids Res., 35, 2007
2Q1R
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Crystal Structure Analysis of the RNA Dodecamer CGCGAAUUAGCG, with a G-A mismatch.
Descriptor: MAGNESIUM ION, RNA (5'-R(*CP*GP*CP*GP*AP*AP*UP*UP*AP*GP*CP*G)-3')
Authors:Li, F, Pallan, P.S.
Deposit date:2007-05-25
Release date:2007-10-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal structure, stability and in vitro RNAi activity of oligoribonucleotides containing the ribo-difluorotoluyl nucleotide: insights into substrate requirements by the human RISC Ago2 enzyme.
Nucleic Acids Res., 35, 2007
2V9W
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Complex structure of Sulfolobus solfataricus DPO4 and DNA duplex containing a hydrophobic thymine isostere 2,4-difluorotoluene nucleotide in the template strand
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *CP*TP*G)-3', 5'-D(*TP*TP*CP*AP*GP*DFTP*AP*GP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Irimia, A, Pallan, P.S, Egli, M.
Deposit date:2007-08-27
Release date:2007-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and Activity of Y-Class DNA Polymerase Dpo4 from Sulfolobus Solfataricus with Templates Containing the Hydrophobic Thymine Analog 2,4-Difluorotoluene.
J.Biol.Chem., 282, 2007
2A0P
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Crystal structure of RNA oligomer containing 4'-thioribose
Descriptor: 5'-R(*CP*CP*(S4C)P*CP*GP*GP*GP*G)-3'
Authors:Haeberli, P, Berger, I, Pallan, P.S, Egli, M.
Deposit date:2005-06-16
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Syntheses of 4'-thioribonucleosides and thermodynamic stability and crystal structure of RNA oligomers with incorporated 4'-thiocytosine
Nucleic Acids Res., 33, 2005
4HQI
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Structure of O6-Benzyl-2'-deoxyguanosine opposite perimidinone-derived synthetic nucleoside in DNA duplex
Descriptor: SPERMINE, STRONTIUM ION, Short modified nucleic acids
Authors:Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P.
Deposit date:2012-10-25
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.
Nucleic Acids Res., 41, 2013
4HQH
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Decamer Fluoro Carbocyclic LNA (R-F-cLNA) crystal structure
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*(ULF)P*AP*CP*GP*C)-3')
Authors:Seth, P.P, Pallan, P.S, Swayze, E.E, Egli, M.
Deposit date:2012-10-25
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Properties of a Fluorinated Carbocyclic LNA Analog
To be Published
4PWM
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Crystal structure of Dickerson Drew Dodecamer with 5-carboxycytosine
Descriptor: 5'-[CGCGAATT(5CC)GCG]-3'
Authors:Szulik, M.W, Pallan, P, Banerjee, S, Voehler, M, Egli, M, Stone, M.P.
Deposit date:2014-03-20
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Differential stabilities and sequence-dependent base pair opening dynamics of watson-crick base pairs with 5-hydroxymethylcytosine, 5-formylcytosine, or 5-carboxylcytosine.
Biochemistry, 54, 2015
4QC7
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Dodecamer structure of 5-formylcytosine containing DNA
Descriptor: short DNA strands
Authors:Szulik, M.W, Pallan, P, Egli, M, Stone, M.P.
Deposit date:2014-05-09
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential stabilities and sequence-dependent base pair opening dynamics of watson-crick base pairs with 5-hydroxymethylcytosine, 5-formylcytosine, or 5-carboxylcytosine.
Biochemistry, 54, 2015
3OZ4
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R-Methyl Carbocyclic LNA
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*(URX)P*AP*CP*GP*C)-3')
Authors:Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E.
Deposit date:2010-09-24
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA.
J.Am.Chem.Soc., 132, 2010
3OPI
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7-DEAZA-2'-DEOXYADENOSINE modification in B-FORM DNA
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*(7DA)P*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SODIUM ION
Authors:Kowal, E.A, Ganguly, M, Pallan, P.S, Marky, L.A, Gold, B, Egli, M, Stone, M.P.
Deposit date:2010-09-01
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Altering the Electrostatic Potential in the Major Groove: Thermodynamic and Structural Characterization of 7-Deaza-2'-deoxyadenosine:dT Base Pairing in DNA.
J.Phys.Chem.B, 115, 2011
3OZ5
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S-Methyl Carbocyclic LNA
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*(UMX)P*AP*CP*GP*C)-3'), SPERMINE
Authors:Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E.
Deposit date:2010-09-24
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA.
J.Am.Chem.Soc., 132, 2010

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