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1N1N
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BU of 1n1n by Molmil
Structure of Mispairing of the Deoxycytosine with Deoxyadenosine 5' to the 8,9-Dihydro-8-(N7-guanyl)-9-Hydroxy-Aflatoxin B1 Adduct
Descriptor: 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1
Authors:Stone, M.P, Giri, I.
Deposit date:2002-10-18
Release date:2003-10-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Wobble dC.dA pairing 5' to the cationic guanine N7 8,9-dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 adduct: implications for nontargeted AFB1 mutagenesis.
Biochemistry, 42, 2003
1QBY
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BU of 1qby by Molmil
THE SOLUTION STRUCTURE OF A BAY-REGION 1R-BENZ[A]ANTHRACENE OXIDE ADDUCT AT THE N6 POSITION OF ADENINE OF AN OLIGODEOXYNUCLEOTIDE CONTAINING THE HUMAN N-RAS CODON 61 SEQUENCE
Descriptor: 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL, 5'-D(*CP*GP*GP*AP*CP*(BZA)AP*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP* G)-3'
Authors:Li, Z, Mao, H, Kim, H.-Y, Tamura, P.J, Harris, C.M, Harris, T.M, Stone, M.P.
Deposit date:1999-04-27
Release date:1999-05-06
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Intercalation of the (-)-(1R,2S,3R, 4S)-N6-[1-benz[a]anthracenyl]-2'-deoxyadenosyl adduct in an oligodeoxynucleotide containing the human N-ras codon 61 sequence.
Biochemistry, 38, 1999
1HM1
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BU of 1hm1 by Molmil
THE SOLUTION NMR STRUCTURE OF A THERMALLY STABLE FAPY ADDUCT OF AFLATOXIN B1 IN AN OLIGODEOXYNUCLEOTIDE DUPLEX REFINED FROM DISTANCE RESTRAINED MOLECULAR DYNAMICS SIMULATED ANNEALING, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*TP*AP*TP*(FAG)P*AP*TP*TP*CP*A)-3'), DNA (5'-D(TP*GP*AP*AP*TP*CP*AP*TP*AP*G)-3')
Authors:Mao, H, Deng, Z, Wang, F, Harris, T.M, Stone, M.P.
Deposit date:1998-05-11
Release date:1998-10-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An intercalated and thermally stable FAPY adduct of aflatoxin B1 in a DNA duplex: structural refinement from 1H NMR.
Biochemistry, 37, 1998
2KAS
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BU of 2kas by Molmil
HNE-dG adduct mismatched with dA in basic solution
Descriptor: (4S)-nonane-1,4-diol, 5'-D(*DGP*DCP*DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3', 5'-D(*DGP*DGP*DAP*DCP*DTP*DAP*DGP*DCP*DTP*DAP*DGP*DC)-3'
Authors:Huang, H, Wang, H, Lloyd, R.S, Rizzo, C.J, Stone, M.P.
Deposit date:2008-11-13
Release date:2009-05-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformational interconversion of the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N(2)-deoxyguanosine adduct when mismatched with deoxyadenosine in DNA
Chem.Res.Toxicol., 22, 2009
2K8T
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BU of 2k8t by Molmil
Solution NMR structure of trans-4-hydroxynonenal derived dG adduct of (6R,8S,11R)-configuration opposite dC
Descriptor: (2S,5R)-5-pentyltetrahydrofuran-2-ol, 5'-D(*DGP*DCP*DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3', 5'-D(*DGP*DGP*DAP*DCP*DTP*DCP*DGP*DCP*DTP*DAP*DGP*DC)-3'
Authors:Huang, H, Wang, H, Qi, N, Lloyd, R.S, Rizzo, C.J, Stone, M.P.
Deposit date:2008-09-23
Release date:2008-11-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The stereochemistry of trans-4-hydroxynonenal-derived exocyclic 1,N2-2'-deoxyguanosine adducts modulates formation of interstrand cross-links in the 5'-CpG-3' sequence.
Biochemistry, 47, 2008
2KAR
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BU of 2kar by Molmil
HNE-dG adduct mismatched with dA in acidic solution
Descriptor: (4S)-nonane-1,4-diol, 5'-D(*DGP*DCP*DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3', 5'-D(*DGP*DGP*DAP*DCP*DTP*DAP*DGP*DCP*DTP*DAP*DGP*DC)-3'
Authors:Huang, H, Wang, H, Lloyd, R.S, Rizzo, C.J, Stone, M.P.
Deposit date:2008-11-13
Release date:2009-05-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformational interconversion of the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N(2)-deoxyguanosine adduct when mismatched with deoxyadenosine in DNA
Chem.Res.Toxicol., 22, 2009
1AG3
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BU of 1ag3 by Molmil
DUPLEX OLIGODEOXYNUCLEOTIDE CONTAINING PROPANODEOXYGUANOSINE OPPOSITE A TWO-BASE DELETION, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*AP*TP*CP*GP*CP*PP*CP*GP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*CP*CP*GP*CP*GP*AP*T)-3')
Authors:Weisenseel, J.P, Stone, M.P.
Deposit date:1997-03-31
Release date:1997-07-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of a duplex oligodeoxynucleotide containing propanodeoxyguanosine opposite a two-base deletion in the (CpG)3 frame shift hotspot of Salmonella typhimurium hisD3052 determined by 1H NMR and restrained molecular dynamics.
Biochemistry, 34, 1995
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
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
2KTP
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BU of 2ktp by Molmil
Structure of the 1,N2-ethenodeoxyguanosine lesion opposite a one-base deletion in duplex DNA
Descriptor: DNA (5'-D(*CP*GP*CP*AP*TP*(GNE)P*GP*AP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*TP*CP*AP*TP*GP*CP*G)-3')
Authors:Shanmugam, G, Kozekov, I.D, Guengerich, P.F, Rizzo, C.J, Stone, M.P.
Deposit date:2010-02-05
Release date:2010-03-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the 1,N(2)-etheno-2'-deoxyguanosine lesion in the 3'-G(epsilon dG)T-5' sequence opposite a one-base deletion.
Biochemistry, 49, 2010
2KV6
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BU of 2kv6 by Molmil
Tetrapeptide KWKK conjugated to oligonucleotide duplex by a trimethylene tether
Descriptor: 5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3', 5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3', KWKK Tetrapeptide
Authors:Huang, H, Kozekov, I.D, Kozekova, A, Rizzo, C.J, McCullough, A, LLoyd, R.S, Stone, M.P.
Deposit date:2010-03-08
Release date:2010-07-21
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Minor Groove Orientation of the KWKK Peptide Tethered via the N-Terminal Amine to the Acrolein-Derived 1,N(2)-gamma-Hydroxypropanodeoxyguanosine Lesion with a Trimethylene Linkage .
Biochemistry, 49, 2010
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
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
1AGK
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BU of 1agk by Molmil
THE SOLUTION NMR STRUCTURE OF AN (R)-A-(N6-ADENYL)-STYRENE OXIDE-RAS61 OLIGODEOXYNUCLEOTIDE MODIFIED AT THE SECOND POSITION OF THE CODON 61 REGION, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*GP*AP*CP*RP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
Authors:Feng, B, Stone, M.P.
Deposit date:1997-03-25
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Major groove (R)-alpha-(N6-adenyl)styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 61 sequence: conformations of the R(61,2) and R(61,3) sequence isomers from 1H NMR.
Biochemistry, 34, 1995
1AGO
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BU of 1ago by Molmil
THE SOLUTION NMR STRUCTURE OF AN (S)-A-(N6-ADENYL)-STYRENE OXIDE-RAS61 OLIGODEOXYNUCLEOTIDE MODIFIED AT THE THIRD POSITION OF THE CODON 61 REGION, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*GP*AP*CP*AP*YP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
Authors:Feng, B, Stone, M.P.
Deposit date:1997-03-25
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Major groove (S)-alpha-(N6-adenyl)styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 61 sequence: conformations of the S(61,2) and S(61,3) sequence isomers from 1H NMR.
Biochemistry, 35, 1996
1AGU
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BU of 1agu by Molmil
THE SOLUTION NMR STRUCTURE OF THE C10R ADDUCT OF BENZO[A]PYRENE-DIOL-EPOXIDE AT THE N6 POSITION OF ADENINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 60-62 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*GP*AP*CP*EP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
Authors:Zegar, I.S, Stone, M.P.
Deposit date:1997-03-25
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Adduction of the human N-ras codon 61 sequence with (-)-(7S,8R,9R,10S)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a] pyrene: structural refinement of the intercalated SRSR(61,2) (-)-(7S,8R,9S,1 0R)-N6-[10-(7,8,9,10- tetrahydrobenzo[a]pyrenyl)]-2'-deoxyadenosyl adduct from 1H NMR
Biochemistry, 35, 1996
1AGZ
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BU of 1agz by Molmil
THE SOLUTION NMR STRUCTURE OF AN (R)-A-(N6-ADENYL)-STYRENE OXIDE-RAS61 OLIGODEOXYNUCLEOTIDE MODIFIED AT THE THIRD POSITION OF THE CODON 61 REGION, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*GP*AP*CP*AP*RP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
Authors:Feng, B, Stone, M.P.
Deposit date:1997-03-26
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Major groove (R)-alpha-(N6-adenyl)styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 61 sequence: conformations of the R(61,2) and R(61,3) sequence isomers from 1H NMR.
Biochemistry, 34, 1995
1AFZ
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BU of 1afz by Molmil
SOLUTION NMR STRUCTURE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE FROM THE HUMAN N-RAS PROTOONCOGENE ENCODING FOR AMINO ACIDS 11-13 OF P21, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*GP*TP*GP*GP*TP*G)-3')
Authors:Zegar, I.S, Stone, M.P.
Deposit date:1997-03-18
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of an oligodeoxynucleotide containing the human N-ras codon 12 sequence refined from 1H NMR using molecular dynamics restrained by nuclear Overhauser effects.
Chem.Res.Toxicol., 9, 1996
9CHW
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BU of 9chw by Molmil
Crystal structure of human polymerase eta with incoming dAMPnPP nucleotide opposite threofuranosyl thymidine in DNA template
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*(TFT)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Tomar, R, Stone, M.P, Egli, M.
Deposit date:2024-07-02
Release date:2024-09-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:DNA Replication across alpha-l-(3'-2')-Threofuranosyl Nucleotides Mediated by Human DNA Polymerase eta.
Biochemistry, 2024
9CI9
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BU of 9ci9 by Molmil
Crystal structure of human polymerase eta with incoming dCMPnPP nucleotide across threofuranosyl thymidine in DNA template at extension stage
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), DNA (5'-D(*CP*AP*TP*GP*(TFT)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Tomar, R, Stone, M.P, Egli, M.
Deposit date:2024-07-02
Release date:2024-09-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:DNA Replication across alpha-l-(3'-2')-Threofuranosyl Nucleotides Mediated by Human DNA Polymerase eta.
Biochemistry, 2024
9CIQ
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BU of 9ciq by Molmil
Crystal structure of human polymerase eta with incoming threofuranosyl thymine nucleoside triphosphate opposite template dA
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Patra, A, Tomar, R, Stone, M.P, Egli, M.
Deposit date:2024-07-04
Release date:2024-09-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:DNA Replication across alpha-l-(3'-2')-Threofuranosyl Nucleotides Mediated by Human DNA Polymerase eta.
Biochemistry, 2024
9CIH
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BU of 9cih by Molmil
Crystal structure of human polymerase eta with incoming dCMPnPP nucleotide across O4-methyl threofuranosyl thymidine in DNA template at extension stage
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), DNA (5'-D(*CP*AP*TP*GP*(A1A0L)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Tomar, R, Stone, M.P, Egli, M.
Deposit date:2024-07-03
Release date:2024-09-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:DNA Replication across alpha-l-(3'-2')-Threofuranosyl Nucleotides Mediated by Human DNA Polymerase eta.
Biochemistry, 2024
9CJ9
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BU of 9cj9 by Molmil
Crystal structure of human polymerase eta with incoming dAMPnPP nucleotide opposite O4-methyl threofuranosyl thymidine in DNA template at insertion stage
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*(TFT)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Tomar, R, Stone, M.P, Egli, M.
Deposit date:2024-07-05
Release date:2024-09-18
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:DNA Replication across alpha-l-(3'-2')-Threofuranosyl Nucleotides Mediated by Human DNA Polymerase eta.
Biochemistry, 2024
1AP1
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BU of 1ap1 by Molmil
THE SOLUTION NMR STRUCTURE OF AN S-STYRENE OXIDE ADDUCT AT THE N2 POSITION OF GUANINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 11-13 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GSSP*GP*TP*GP*GP*TP*G)-3')
Authors:Setayesh, F.R, Stone, M.P.
Deposit date:1997-07-22
Release date:1998-07-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 12: minor groove structures of the R(12,1)- and S(12,1)-alpha-(N2-guanyl) stereoisomers determined by 1H nuclear magnetic resonance.
Chem.Res.Toxicol., 11, 1998

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