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2HLI
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BU of 2hli by Molmil
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:2018-01-31
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
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
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
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:2023-06-14
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
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
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
2HMR
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BU of 2hmr by Molmil
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:2022-03-09
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
2HKC
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BU of 2hkc by Molmil
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:2021-11-03
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
2HKB
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BU of 2hkb by Molmil
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:2021-11-03
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
2HMD
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BU of 2hmd by Molmil
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:2022-03-09
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
2K8U
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BU of 2k8u by Molmil
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:2022-03-16
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
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:2022-03-16
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:2022-03-16
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:2022-03-16
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
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:2022-03-16
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
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:2023-06-14
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
3T5K
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BU of 3t5k by Molmil
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
3T5L
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BU of 3t5l by Molmil
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
3T5J
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BU of 3t5j by Molmil
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
3T5H
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BU of 3t5h by Molmil
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
2V4Q
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BU of 2v4q by Molmil
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
2V4R
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BU of 2v4r by Molmil
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
2W9C
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BU of 2w9c by Molmil
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
2W9A
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BU of 2w9a by Molmil
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
2W9B
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BU of 2w9b by Molmil
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
2KV6
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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

 

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