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5DGB
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BU of 5dgb by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA EXTENDING AN 1,N6-ETHENODEOXYADENOSINE : dA PAIR BY INSERTING dTMPNPP OPPOSITE TEMPLATE dA
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), DNA (5'-D(*CP*AP*TP*AP*(EDA)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2015-08-27
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5DQH
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BU of 5dqh by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dGMPNPP Opposite O4-Ethylthymidine
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(5EJ)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, OFlaherty, D.K, Egli, M.
Deposit date:2015-09-14
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Lesion Orientation ofO4-Alkylthymidine Influences Replication by Human DNA Polymeraseeta.
Chem Sci, 7, 2016
5DLF
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BU of 5dlf by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dATP Opposite O4-Methylhymidine
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Patra, A, OFlaherty, D.K, Egli, M.
Deposit date:2015-09-04
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Lesion Orientation ofO4-Alkylthymidine Influences Replication by Human DNA Polymeraseeta.
Chem Sci, 7, 2016
5DGA
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BU of 5dga by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA EXTENDING AN 1,N6-ETHENODEOXYADENOSINE : dT PAIR BY INSERTING dTMPNPP OPPOSITE TEMPLATE dA
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*AP*(EDA)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2015-08-27
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5DO5
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BU of 5do5 by Molmil
Crystal Structure of 2'-Fluoro-RNA bearing a phosphorodithioate
Descriptor: RNA (5'-R(*CP*GP*CP*GP*AP*AP*UP*UP*(AF2)P*(2SG)P*CP*G)-3')
Authors:Pallan, P.S, Egli, M.
Deposit date:2015-09-10
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of 2'-Fluoro-RNA bearing a phosphorodithioate
To Be Published
5DQG
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BU of 5dqg by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dAMPNPP Opposite O4-Ethylthymidine
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(5EJ)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, OFlaherty, D.K, Egli, M.
Deposit date:2015-09-14
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Lesion Orientation ofO4-Alkylthymidine Influences Replication by Human DNA Polymeraseeta.
Chem Sci, 7, 2016
5DLG
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BU of 5dlg by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dGMPNPP Opposite O4-Methylhymidine
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(5DB)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, OFlaherty, D.K, Egli, M.
Deposit date:2015-09-04
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Lesion Orientation ofO4-Alkylthymidine Influences Replication by Human DNA Polymeraseeta.
Chem Sci, 7, 2016
5DG9
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BU of 5dg9 by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING dGMPNPP ACROSS A DNA TEMPLATE CONTAINING 1,N6-ETHENODEOXYADENOSINE LESION
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(EDA)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2015-08-27
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5DQI
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BU of 5dqi by Molmil
Crystal Structure of Human DNA Polymerase Eta Extending an O4-Ethylthymidine : dA Pair By Inserting dCTP Opposite dG
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*AP*C)-3'), ...
Authors:Patra, A, OFlaherty, D.K, Egli, M.
Deposit date:2015-09-14
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lesion Orientation ofO4-Alkylthymidine Influences Replication by Human DNA Polymeraseeta.
Chem Sci, 7, 2016
5C5E
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BU of 5c5e by Molmil
Structure of KaiA dimer in complex with C-terminal KaiC peptide at 2.8 A resolution
Descriptor: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid, Circadian clock protein KaiA, KaiC C-terminal peptide
Authors:Pattanayek, R, Egli, M.
Deposit date:2015-06-19
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Protein-Protein Interactions in the Cyanobacterial Circadian Clock: Structure of KaiA Dimer in Complex with C-Terminal KaiC Peptides at 2.8 angstrom Resolution.
Biochemistry, 54, 2015
5EWG
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BU of 5ewg by Molmil
Ternary complex of human DNA polymerase eta inserting rATP opposite an 8-Oxodeoxyguanosine Lesion
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Su, Y, Egli, M, Guengerich, F.P.
Deposit date:2015-11-20
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanism of Ribonucleotide Incorporation by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5EWF
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BU of 5ewf by Molmil
Ternary complex of human DNA polymerase eta inserting rCTP opposite an 8-Oxodeoxyguanosine Lesion
Descriptor: CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Su, Y, Egli, M, Guengerich, F.P.
Deposit date:2015-11-20
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Mechanism of Ribonucleotide Incorporation by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5EWE
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BU of 5ewe by Molmil
Ternary complex of human DNA polymerase eta inserting rCTP opposite template G
Descriptor: CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Su, Y, Egli, M, Guengerich, F.P.
Deposit date:2015-11-20
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Mechanism of Ribonucleotide Incorporation by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
5VAJ
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BU of 5vaj by Molmil
BhRNase H - amide-RNA/DNA complex
Descriptor: ACETATE ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), GLYCEROL, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-03-27
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Amide linkages mimic phosphates in RNA interactions with proteins and are well tolerated in the guide strand of short interfering RNAs.
Nucleic Acids Res., 45, 2017
5VBU
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BU of 5vbu by Molmil
Crystal Structure of Human Cytochrome P450 21A2 Hydroxyprogesterone Complex
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, Cytochrome P450 21-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-03-30
Release date:2017-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Functional analysis of human cytochrome P450 21A2 variants involved in congenital adrenal hyperplasia.
J. Biol. Chem., 292, 2017
5W20
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BU of 5w20 by Molmil
Crystal Structure of inosine-substituted duplex DNA
Descriptor: DNA (5'-D(*CP*CP*AP*IP*IP*CP*CP*TP*GP*G)-3'), MAGNESIUM ION
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-06-05
Release date:2017-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Comparative analysis of inosine-substituted duplex DNA by circular dichroism and X-ray crystallography.
J. Biomol. Struct. Dyn., 36, 2018
5W1Z
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BU of 5w1z by Molmil
Crystal Structure of inosine-substituted decamer duplex DNA (I4)
Descriptor: DNA (5'-D(*CP*CP*AP*IP*IP*CP*CP*(BRU)P*IP*I)-3'), MAGNESIUM ION, SODIUM ION
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-06-05
Release date:2017-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Comparative analysis of inosine-substituted duplex DNA by circular dichroism and X-ray crystallography.
J. Biomol. Struct. Dyn., 36, 2018
6EO6
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BU of 6eo6 by Molmil
X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA63A - TBA MODIFIED APTAMER, ...
Authors:Dolot, R.M, Nawrot, B, Yang, X.
Deposit date:2017-10-09
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
7UCR
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BU of 7ucr by Molmil
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
4I9V
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BU of 4i9v by Molmil
The atomic structure of 5-Hydroxymethyl 2'-deoxycitidine base paired with 2'-deoxyguanosine in Dickerson Drew Dodecamer
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(5HC)P*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE (FULLY PROTONATED FORM)
Authors:Nocek, B, Szulik, M.W, Joachimiak, A, Stone, M.P.
Deposit date:2012-12-05
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.02 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
2Q1R
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BU of 2q1r by Molmil
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
2Q1O
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BU of 2q1o by Molmil
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
6EO7
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BU of 6eo7 by Molmil
X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA68B2 - MODIFIED HUMAN THROMBIN BINDING APTAMER, ...
Authors:Dolot, R.M, Nawrot, B, Yang, X.
Deposit date:2017-10-09
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
3BSE
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BU of 3bse by Molmil
Crystal structure analysis of a 16-base-pair B-DNA
Descriptor: CALCIUM ION, DNA (5'-D(*DA*DCP*DAP*DCP*DTP*DAP*DCP*DAP*DAP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DAP*DT)-3'), DNA (5'-D(*DG*DTP*DAP*DTP*DTP*DGP*DCP*DAP*DAP*DCP*DAP*DTP*DTP*DGP*DTP*DAP*DGP*DT)-3')
Authors:Narayana, N.
Deposit date:2007-12-23
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic Analysis of a Sex-Specific Enhancer Element: Sequence-Dependent DNA Structure, Hydration, and Dynamics
J.Mol.Biol., 385, 2009
4FS1
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BU of 4fs1 by Molmil
Base pairing mechanism of N2,3-ethenoguanine with dTTP by human polymerase iota
Descriptor: DNA 5'-D(*TP*CP*TP*(EFG)P*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*(DOC))-3', DNA polymerase iota, MAGNESIUM ION, ...
Authors:Zhao, L.
Deposit date:2012-06-26
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Basis of Miscoding of the DNA Adduct N2,3-Ethenoguanine by Human Y-family DNA Polymerases.
J.Biol.Chem., 287, 2012

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