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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
1MKL
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BU of 1mkl by Molmil
NMR REFINED STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT IN A 5'-CPAFBG-3' SEQUENCE
Descriptor: 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*CP*GP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1
Authors:Giri, I, Jenkins, M.D, Schnetz-Boutaud, N.C, Stone, M.P.
Deposit date:2002-08-29
Release date:2002-10-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural refinement of the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy-aflatoxin B(1) adduct in a 5'-Cp(AFB)G-3' sequence.
Chem.Res.Toxicol., 15, 2002
1LUH
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BU of 1luh by Molmil
SOLUTION NMR STRUCTURE OF SELF-COMPLIMENTARY DUPLEX 5'-D(TCCG*CGGA)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE N2 POSITION OF G*
Descriptor: 5'-D(*TP*CP*CP*(TME)GP*CP*GP*GP*A)-3', PROPANE
Authors:Dooley, P.D, Zhang, M, Korbel, G.A, Nechev, L.V, Harris, C.M, Stone, M.P, Harris, T.M.
Deposit date:2002-05-22
Release date:2003-02-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR Determination of the Conformation of a Trimethylene Interstrand Cross-Link in an Oligodeoxynucleotide Duplex Containing a 5'-d(GpC) Motif
J.AM.CHEM.SOC., 125, 2003
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
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
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
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
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
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
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
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
1AG5
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BU of 1ag5 by Molmil
THE SOLUTION STRUCTURE OF AN AFLATOXIN B1 EPOXIDE ADDUCT AT THE N7 POSITION OF GUANINE OPPOSITE AN ADENINE IN THE COMPLEMENTARY STRAND OF AN OLIGODEOXYNUCLEOTIDE DUPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, DNA (5'-D(*CP*CP*AP*TP*CP*GP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*AP*GP*AP*TP*GP*G)-3')
Authors:Johnson, D.S, Stone, M.P.
Deposit date:1997-04-01
Release date:1997-09-17
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Refined solution structure of 8,9-dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 opposite CpA in the complementary strand of an oligodeoxynucleotide duplex as determined by 1H NMR.
Biochemistry, 34, 1995
1AF1
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BU of 1af1 by Molmil
THE SOLUTION NMR STRUCTURE OF AN R-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*GP*GSRP*TP*GP*GP*TP*G)-3')
Authors:Zegar, I.S, Stone, M.P.
Deposit date:1997-03-20
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 12 sequence: structural refinement of the minor groove R(12,2)- and S(12,2)-alpha-(N2-guanyl) stereoisomers from 1H NMR.
Biochemistry, 35, 1996
1AGH
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BU of 1agh by Molmil
THE SOLUTION STRUCTURE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE DUPLEX CODING FOR AMINO ACIDS 60-62 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*GP*AP*CP*AP*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:1997-09-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of an oligodeoxynucleotide containing the human n-ras codon 61 sequence refined from 1H NMR using molecular dynamics restrained by nuclear Overhauser effects.
Chem.Res.Toxicol., 8, 1995
6XAH
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BU of 6xah by Molmil
Structure of a Stable Interstrand DNA Crosslink Involving an dA Amino Group and an Abasic Site
Descriptor: DNA (5'-D(*TP*AP*GP*AP*TP*GP*AP*AP*CP*(AAB)P*TP*AP*GP*AP*CP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*TP*CP*TP*AP*AP*GP*TP*TP*CP*AP*TP*CP*TP*A)-3')
Authors:Kellum Jr, A.H, Qiu, D, Voehler, M.W, Martin, W.J, Gates, K.S, Stone, M.P.
Deposit date:2020-06-04
Release date:2021-05-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of a Stable Interstrand DNA Cross-Link Involving a beta- N -Glycosyl Linkage Between an N 6 -dA Amino Group and an Abasic Site.
Biochemistry, 60, 2021
5JUM
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BU of 5jum by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dCTP Opposite N-(2'-deoxyguanosin-8- yl)-3-aminobenzanthrone (C8-dG-ABA)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Patra, A, Politica, D.A, Stone, M.P, Egli, M.
Deposit date:2016-05-10
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism of Error-Free Bypass of the Environmental Carcinogen N-(2'-Deoxyguanosin-8-yl)-3-aminobenzanthrone Adduct by Human DNA Polymerase eta.
Chembiochem, 17, 2016
8FTJ
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BU of 8ftj by Molmil
Crystal structure of human NEIL1 (P2G (242K) C(delta)100) glycosylase bound to DNA duplex containing urea
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*TP*CP*CP*AP*UDV*GP*TP*CP*TP*AP*CP)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*AP*TP*GP*GP*AP*CP*GP*G)-3'), ...
Authors:Tomar, R, Sharma, P, Harp, J.M, Egli, M, Stone, M.P.
Deposit date:2023-01-12
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Base excision repair of the N-(2-deoxy-d-erythro-pentofuranosyl)-urea lesion by the hNEIL1 glycosylase.
Nucleic Acids Res., 51, 2023
2Z2H
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BU of 2z2h by Molmil
NMR Structure of the IQ-modified Dodecamer CTCG[IQ]GCGCCATC
Descriptor: 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DGP*DGP*DCP*DGP*DCP*DCP*DGP*DAP*DG)-3')
Authors:Wang, F, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P.
Deposit date:2007-05-22
Release date:2007-10-02
Last modified:2023-11-29
Method:SOLUTION NMR
Cite:DNA sequence modulates the conformation of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme
Biochemistry, 46, 2007
2Z2G
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BU of 2z2g by Molmil
NMR Structure of the IQ-modified Dodecamer CTC[IQ]GGCGCCATC
Descriptor: 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DGP*DGP*DCP*DGP*DCP*DCP*DGP*DAP*DG)-3')
Authors:Wang, F, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P.
Deposit date:2007-05-22
Release date:2007-10-02
Last modified:2023-11-29
Method:SOLUTION NMR
Cite:DNA sequence modulates the conformation of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme
Biochemistry, 46, 2007

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