2HLI
 
 | | Solution structure of Crotonaldehyde-Derived N2-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct in the 5'-CpG-3' Sequence | | Descriptor: | DNA dodecamer, DNA dodecamer with S-crotonaldehyde adduct | | Authors: | Cho, Y.-J, Wang, H, Kozekov, I.D, Kurtz, A.J, Jacob, J, Voehler, M, Smith, J, Harris, T.M, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2006-07-07 | | Release date: | 2006-09-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Orientation of the Crotonaldehyde-Derived N(2)-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct Hinders Interstrand Cross-Link Formation in the 5'-CpG-3' Sequence
Chem.Res.Toxicol., 19, 2006
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2Z2G
 | | 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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2Z2H
 | | 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
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2HKC
 | | NMR Structure of the IQ-modified Dodecamer CTCGGC[IQ]GCCATC | | Descriptor: | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, 5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3', 5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3' | | Authors: | Wang, F, DeMuro, N.E, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2006-07-03 | | Release date: | 2006-10-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Base-displaced intercalated structure of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme, a hotspot for -2 bp deletions.
J.Am.Chem.Soc., 128, 2006
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2HMR
 | | Solution structure of reduced interstrand cross-link arising from S-alpha-methyl-gamma-OH-1,N2-propano-2'-deoxyguanosine in the 5'-CpG-3' DNA sequence | | Descriptor: | DNA dodecamer with interstrand cross-link | | Authors: | Cho, Y.-J, Kozekov, I.D, Harris, T.M, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2006-07-11 | | Release date: | 2007-03-13 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Stereochemistry Modulates the Stability of Reduced Interstrand Cross-Links Arising from R- and S-alpha-CH(3)-gamma-OH-1,N(2)-Propano-2'-deoxyguanosine in the 5'-CpG-3' DNA Sequence
Biochemistry, 46, 2007
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2HKB
 | | NMR Structure of the B-DNA Dodecamer CTCGGCGCCATC | | Descriptor: | 5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3', 5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3' | | Authors: | Wang, F, DeMuro, N.E, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2006-07-03 | | Release date: | 2006-10-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Base-displaced intercalated structure of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme, a hotspot for -2 bp deletions.
J.Am.Chem.Soc., 128, 2006
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2HMD
 | | Stereochemistry Modulates Stability of Reduced Inter-Strand Cross-Links Arising From R- and S-alpha-methyl-gamma-OH-1,N2-propano-2'-Deoxyguanine in the 5'-CpG-3' DNA Sequence | | Descriptor: | DNA dodecamer with interstrand cross-link | | Authors: | Cho, Y.-J, Kozekov, I.D, Harris, T.M, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2006-07-11 | | Release date: | 2007-03-13 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Stereochemistry Modulates the Stability of Reduced Interstrand Cross-Links Arising from R- and S-alpha-CH(3)-gamma-OH-1,N(2)-Propano-2'-deoxyguanosine in the 5'-CpG-3' DNA Sequence
Biochemistry, 46, 2007
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2K8U
 | | Solution NMR structure of trans-4-hydroxynonenal derived dG adduct of (6S,8R,11S)-configuration matched with 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
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2V4R
 | | Non-productive complex of the Y-family DNA polymerase Dpo4 with dGTP skipping the M1dG adduct to pair with the next template cytosine | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3', 5'-D(*TP*CP*AP*CP*M1GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Stafford, J.B, Szekely, J, Rizzo, C.J, Egli, M, Guengerich, F.P, Marnett, L.J. | | Deposit date: | 2008-09-26 | | Release date: | 2009-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Analysis of Sulfolobus Solfataricus Y-Family DNA Polymerase Dpo4-Catalyzed Bypass of the Malondialdehyde-Deoxyguanosine Adduct.
Biochemistry, 48, 2009
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2V4Q
 | | Post-insertion complex of the Y-family DNA polymerase Dpo4 with M1dG containing template DNA | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*C)-3', 5'-D(*TP*CP*AP*C M1GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Stafford, J.B, Szekely, J, Rizzo, C.J, Egli, M, Guengerich, F.P, Marnett, L.J. | | Deposit date: | 2008-09-26 | | Release date: | 2009-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Functional Analysis of Sulfolobus Solfataricus Y-Family DNA Polymerase Dpo4-Catalyzed Bypass of the Malondialdehyde-Deoxyguanosine Adduct.
Biochemistry, 48, 2009
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2W9A
 | | Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dGTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*O2GP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
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2W9B
 | | Binary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA | | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOCP)-3', 5'-D(*TP*CP*AP*TP*M2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ... | | Authors: | Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
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2W9C
 | | Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dTTP | | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*DOCP)-3', 5'-D(*TP*CP*AP*CP*O2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ... | | Authors: | Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
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3T5H
 | | Ternary complex of HNE Adduct modified DNA (5'-CXG-3' vs 13-mer) with Dpo4 and incoming dDGT | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*CP*(HN1)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2011-07-27 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV.
Chem.Res.Toxicol., 25, 2012
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3T5J
 | | Ternary complex of HNE Adduct modified DNA (5'-TXG-3' vs 13-mer) with Dpo4 and incoming dDTP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*(HN1)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2011-07-27 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV.
Chem.Res.Toxicol., 25, 2012
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3T5L
 | | Ternary complex of HNE Adduct modified DNA (5'-CXG-3' vs 14-mer) with Dpo4 and incoming dDGT | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*CP*(HN0)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2011-07-27 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV.
Chem.Res.Toxicol., 25, 2012
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3T5K
 | | Ternary complex of HNE Adduct modified DNA (5'-TXG-3' vs 14-mer) with Dpo4 and incoming dDTP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*(HN0)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2011-07-27 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV.
Chem.Res.Toxicol., 25, 2012
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2KAS
 | | 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
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2LBI
 | | 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
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2K8T
 | | 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
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2KAR
 | | 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
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2KTP
 | | 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
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2LG2
 | | 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
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2LG3
 | | 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
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2MAV
 | | 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
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