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2LFX
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BU of 2lfx by Molmil
Structure of the duplex when (5'S)-8,5'-cyclo-2'-deoxyguanosine is placed opposite dT
Descriptor: DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*TP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(2LF)P*TP*GP*TP*TP*TP*GP*T)-3')
Authors:Huang, H, Das, R.S, Basu, A, Stone, M.P.
Deposit date:2011-07-18
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of (5'S)-8,5'-Cyclo-2'-deoxyguanosine Mismatched with dA or dT.
Chem.Res.Toxicol., 25, 2012
2LG0
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BU of 2lg0 by Molmil
structure of the duplex containing (5'S)-8,5'-cyclo-2'-deoxyadenosine
Descriptor: DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*TP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(02I)P*TP*GP*TP*TP*TP*GP*T)-3')
Authors:Huang, H, Das, R.S, Basu, A, Stone, M.P.
Deposit date:2011-07-18
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of (5'S)-8,5'-cyclo-2'-deoxyguanosine in DNA.
J.Am.Chem.Soc., 133, 2011
2LFY
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BU of 2lfy by Molmil
Structure of the duplex when (5'S)-8,5'-cyclo-2'-deoxyguanosine is placed opposite dA
Descriptor: DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*AP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(2LF)P*TP*GP*TP*TP*TP*GP*T)-3')
Authors:Huang, H, Das, R.S, Basu, A, Stone, M.P.
Deposit date:2011-07-18
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of (5'S)-8,5'-Cyclo-2'-deoxyguanosine Mismatched with dA or dT.
Chem.Res.Toxicol., 25, 2012
2LBI
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BU of 2lbi by Molmil
N2-dG:N2-dG interstrand cross-link induced by trans-4-hydroxynonenal
Descriptor: (4S)-nonane-1,4-diol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3')
Authors:Huang, H, Kozekov, I.D, Wang, H, Kozekova, A, Rizzo, C.J, Stone, M.P.
Deposit date:2011-03-31
Release date:2012-04-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Formation of a N2-dG:N2-dG carbinolamine DNA cross-link by the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N2-dG adduct.
J.Am.Chem.Soc., 133, 2011
2LG2
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BU of 2lg2 by Molmil
Structure of the duplex containing HNE derived (6S,8R,11S) N2-dG cyclic hemiacetal when placed opposite dT
Descriptor: (2R,5S)-5-pentyltetrahydrofuran-2-ol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3')
Authors:Huang, H, Wang, H, Kozekova, A, Lloyd, R.S, Rizzo, C.J, Stone, M.P.
Deposit date:2011-07-19
Release date:2012-08-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ring-chain tautomerization of trans-4-hydroxynonenal derived (6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct when placed opposite 2'-deoxythymidine in duplex
To be Published
2LFA
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BU of 2lfa by Molmil
Oligonucleotide duplex contaning (5'S)-8,5'-cyclo-2'-deoxyguansine
Descriptor: DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(2LF)P*TP*GP*TP*TP*TP*GP*T)-3')
Authors:Huang, H, Das, R.S, Basu, A, Stone, M.P.
Deposit date:2011-06-29
Release date:2012-01-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of (5'S)-8,5'-Cyclo-2'-deoxyguanosine in DNA.
J.Am.Chem.Soc., 133, 2011
2LG3
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BU of 2lg3 by Molmil
Structure of the duplex containing HNE derived (6S,8R,11S) gamma-HO-PdG when placed opposite dT
Descriptor: (4S)-nonane-1,4-diol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3')
Authors:Huang, H, Wang, H, Kozekova, A, Lloyd, R.S, Rizzo, C.J, Stone, M.P.
Deposit date:2011-07-19
Release date:2012-08-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ring-chain tautomerization of trans-4-hydroxynonenal derived (6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct when placed opposite 2'-deoxythymidine in duplex
To be Published
2LIA
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BU of 2lia by Molmil
Solution NMR structure of a DNA dodecamer containing the 7-aminomethyl-7-deaza-2'-deoxyguanosine adduct
Descriptor: DNA (5'-D(*GP*AP*GP*AP*(2LA)P*CP*GP*CP*TP*CP*TP*C)-3')
Authors:Szulik, M.W, Ganguly, M, Wang, R, Gold, B, Stone, M.P.
Deposit date:2011-08-26
Release date:2012-08-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Site-Specific Stabilization of DNA by a Tethered Major Groove Amine, 7-Aminomethyl-7-deaza-2'-deoxyguanosine.
Biochemistry, 52, 2013
2N4M
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BU of 2n4m by Molmil
Base-displaced intercalated structure of the N-(2'deoxyguanosin-8-yl)-3-aminobenzanthrone DNA adduct
Descriptor: DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(4E9)P*TP*GP*TP*TP*TP*GP*T)-3')
Authors:Politica, D.A, Stone, M.P, Malik, C.K, Basu, A.K.
Deposit date:2015-06-23
Release date:2016-07-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Base-Displaced Intercalated Structure of the N-(2'-Deoxyguanosin-8-yl)-3-aminobenzanthrone DNA Adduct.
Chem.Res.Toxicol., 28, 2015
2KNL
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BU of 2knl by Molmil
Structure of the trimethylene N2-dG:N2-dG interstrand cross-link in the 5'-GpC-3' sequence context
Descriptor: DNA (5'-D(*TP*CP*CP*GP*CP*GP*GP*A)-3'), PROPANE
Authors:Huang, H, Dooley, P.A, Harris, C.M, Harris, T.M, Stone, M.P.
Deposit date:2009-08-26
Release date:2009-09-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Differential base stacking interactions induced by trimethylene interstrand DNA cross-links in the 5'-CpG-3' and 5'-GpC-3' sequence contexts.
Chem.Res.Toxicol., 22, 2009
2MHZ
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BU of 2mhz by Molmil
Structure of Exocyclic S,S N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA
Descriptor: 5'-D(*CP*GP*GP*AP*CP*(SDE)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'
Authors:Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P.
Deposit date:2013-12-05
Release date:2014-05-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane.
Chem.Res.Toxicol., 27, 2014
2M11
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BU of 2m11 by Molmil
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
2MHX
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BU of 2mhx by Molmil
Structure of Exocyclic R,R N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA
Descriptor: 5'-D(*CP*GP*GP*AP*CP*(RBD)P*AP*GP*AP*AP*G)-3'), 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
Authors:Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P.
Deposit date:2013-12-05
Release date:2014-05-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane.
Chem.Res.Toxicol., 27, 2014
2MNX
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BU of 2mnx by Molmil
Major groove orientation of the (2S)-N6-(2-hydroxy-3-buten-1-yl)-2'-deoxyadenosine DNA adduct induced by 1,2-epoxy-3-butene
Descriptor: 5'-D(*CP*GP*GP*AP*CP*(6HB)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'
Authors:Kowal, E.A, Kotapati, S, Turo, M, Tretyakova, N, Stone, M.P.
Deposit date:2014-04-16
Release date:2014-10-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Major Groove Orientation of the (2S)-N(6)-(2-Hydroxy-3-buten-1-yl)-2'-deoxyadenosine DNA Adduct Induced by 1,2-Epoxy-3-butene.
Chem.Res.Toxicol., 27, 2014
2KNK
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BU of 2knk by Molmil
Structure of the trimethylene N2-dG:N2-dG interstrand cross-link in 5'-CpG-3' sequence context
Descriptor: DNA (5'-D(*AP*GP*GP*CP*GP*CP*CP*T)-3'), PROPANE
Authors:Huang, H, Dooley, P.A, Harris, C.M, Harris, T.M, Stone, M.P.
Deposit date:2009-08-26
Release date:2009-09-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Differential base stacking interactions induced by trimethylene interstrand DNA cross-links in the 5'-CpG-3' and 5'-GpC-3' sequence contexts.
Chem.Res.Toxicol., 22, 2009
2MAV
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BU of 2mav by Molmil
NMR Structure of N2-IQ-dG at the G3 position in the NarI recognition sequence
Descriptor: DNA_(5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3'), DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3')
Authors:Stavros, K.M, Hawkins, E.K, Rizzo, C.J, Stone, M.P.
Deposit date:2013-07-18
Release date:2014-05-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Base-displaced intercalation of the 2-amino-3-methylimidazo[4,5-f]quinolone N2-dG adduct in the NarI DNA recognition sequence.
Nucleic Acids Res., 42, 2014
4RU9
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BU of 4ru9 by Molmil
Crystal structure of human DNA polymerase eta inserting dCMPNPP opposite a MeFapy-dG adducted DNA template
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA polymerase eta, MAGNESIUM ION, ...
Authors:Patra, A, Egli, M.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV.
J.Am.Chem.Soc., 137, 2015
3PW0
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BU of 3pw0 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-FAPY) with DNA Polymerase IV and incoming dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW7
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BU of 3pw7 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-N7-Gua) with DNA Polymerase IV and incoming dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, CALCIUM ION, ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW4
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BU of 3pw4 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-N7-Gua) with DNA Polymerase IV and incoming dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, CALCIUM ION, ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW5
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BU of 3pw5 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-N7-Gua) with DNA Polymerase IV and incoming dTTP
Descriptor: 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PVX
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BU of 3pvx by Molmil
Binary complex of Aflatoxin B1 Adduct modified DNA (AFB1-FAPY) with DNA Polymerase IV
Descriptor: CALCIUM ION, DNA (5'-D(*AP*TP*TP*(PVX)P*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW2
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BU of 3pw2 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-FAPY) with DNA Polymerase IV and incoming dTTP
Descriptor: CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), DNA (5'-D(*TP*TP*(PVX)P*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
7U38
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BU of 7u38 by Molmil
Pixantrone tethered DNA duplex
Descriptor: 1,2-ETHANEDIOL, Pixantrone AP conjugate-modified DNA
Authors:Pallan, P.S, Egli, M.
Deposit date:2022-02-26
Release date:2023-03-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Characterization of a Covalent Conjugate between Pixantrone and an Abasic Site in DNA
To Be Published
8CU0
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BU of 8cu0 by Molmil
12-mer DNA structure of ExBIM bound to RNaseH -modified DDD
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*(OWR)P*CP*CP*G)-3'), GLYCEROL, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA.
Chem.Res.Toxicol., 35, 2022

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