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1BPS
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MINOR CONFORMER OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA
Descriptor:DNA (5'-D(*GP*GP*TP*CP*(BAP)AP*CP*GP*AP*G)-3'), DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE
Authors:Schwartz, J.S., Rice, J.S., Luxon, B.A., Sayer, J.M., Xie, G., Yeh, H.J.C., Liu, X., Jerina, D.M., Gorenstein, D.G.
Deposit date:1998-08-06
Release date:1998-08-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the minor conformer of a DNA duplex containing a dG mismatch opposite a benzo[a]pyrene diol epoxide/dA adduct: glycosidic rotation from syn to anti at the modified deoxyadenosine.
Biochemistry, 36, 1997
1DXA
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BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA
Descriptor:DNA (5'-D(*GP*GP*TP*CP*AP*CP*GP*AP*G)-3'), DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE
Authors:Yeh, H.J.C., Sayer, J.M., Liu, X., Altieri, A.S., Byrd, R.A., Lakshman, M.K., Yagi, H., Schurter, E.J., Gorenstein, D.G., Jerina, D.M.
Deposit date:1995-09-01
Release date:1995-12-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR solution structure of a nonanucleotide duplex with a dG mismatch opposite a 10S adduct derived from trans addition of a deoxyadenosine N6-amino group to (+)-(7R,8S,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10- tetrahydrobenzo[a]pyrene: an unusual syn glycosidic torsion angle at the modified dA
Biochemistry, 34, 1995
1FYY
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HPRT GENE MUTATION HOTSPOT WITH A BPDE2(10R) ADDUCT
Descriptor:HPRT DNA WITH BENZO[A]PYRENE-ADDUCTED DA7, 5'-D(*TP*GP*CP*CP*CP*TP*TP*GP*AP*CP*TP*A)-3', 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE
Authors:Volk, D.E., Rice, J.S., Luxon, B.A., Yeh, H.J.C., Liang, C., Xie, G., Sayer, J.M., Jerina, D.M., Gorenstein, D.G.
Deposit date:2000-10-03
Release date:2000-12-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR evidence for syn-anti interconversion of a trans opened (10R)-dA adduct of benzo[a]pyrene (7S,8R)-diol (9R,10S)-epoxide in a DNA duplex.
Biochemistry, 39, 2000
1JDG
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SOLUTION STRUCTURE OF A TRANS-OPENED (10S)-DA ADDUCT OF (+)-(7S,8R,9S,10R)-7,8-DIHYDROXY-9,10-EPOXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE IN A FULLY COMPLEMENTARY DNA DUPLEX
Descriptor:5'-D(*CP*GP*GP*TP*CP*(BPA)AP*CP*GP*AP*GP*G)-3', 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE
Authors:Pradhan, P., Tirumala, S., Liu, X., Sayer, J.M., Jerina, D.M., Yeh, H.J.C.
Deposit date:2001-06-13
Release date:2001-07-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of a trans-opened (10S)-dA adduct of (+)-(7S,8R,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully complementary DNA duplex: evidence for a major syn conformation.
Biochemistry, 40, 2001
1N5Y
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HIV-1 REVERSE TRANSCRIPTASE CROSSLINKED TO POST-TRANSLOCATION AZTMP-TERMINATED DNA (COMPLEX P)
Descriptor:5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', REVERSE TRANSCRIPTASE, ...
Authors:Sarafianos, S.G., Clark Jr., A.D., Das, K., Tuske, S., Birktoft, J.J., Ilankumaran, P., Ramesha, A.R., Sayer, J.M., Jerina, D.M., Boyer, P.L., Hughes, S.H., Arnold, E.
Deposit date:2002-11-07
Release date:2003-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA
Embo J., 21, 2002
1N6Q
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HIV-1 REVERSE TRANSCRIPTASE CROSSLINKED TO PRE-TRANSLOCATION AZTMP-TERMINATED DNA (COMPLEX N)
Descriptor:5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', Reverse Transcriptase, ...
Authors:Sarafianos, S.G., Clark Jr., A.D., Das, K., Tuske, S., Birktoft, J.J., Ilankumaran, I., Ramesha, A.R., Sayer, J.M., Jerina, D.M., Boyer, P.L., Hughes, S.H., Arnold, E.
Deposit date:2002-11-11
Release date:2003-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA
Embo J., 21, 2002
1N8C
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SOLUTION STRUCTURE OF A CIS-OPENED (10R)-N6-DEOXYADENOSINE ADDUCT OF (9S,10R)-(9,10)-EPOXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE IN A DNA DUPLEX
Descriptor:5'-D(*CP*GP*GP*TP*CP*AP*CP*GP*AP*GP*G)-3', 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE
Authors:Volk, D.E., Thiviyanathan, V., Rice, J.S., Luxon, B.A., Shah, J.H., Yagi, H., Sayer, J.M., Yeh, H.J.C., Jerina, D.M., Gorenstein, D.G.
Deposit date:2002-11-20
Release date:2003-02-14
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex
Biochemistry, 42, 2003
2IA6
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BYPASS OF MAJOR BENZOPYRENE-DG ADDUCT BY Y-FAMILY DNA POLYMERASE WITH UNIQUE STRUCTURAL GAP
Descriptor:DNA polymerase IV, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*A)-3', 5'-D(*TP*CP*AP*TP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Bauer, J., Ling, H., Sayer, J.M., Xing, G., Yagi, H., Jerina, D.M.
Deposit date:2006-09-07
Release date:2007-09-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural gap in Dpo4 supports mutagenic bypass of a major benzo[a]pyrene dG adduct in DNA through template misalignment.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2IBK
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BYPASS OF MAJOR BENZOPYRENE-DG ADDUCT BY Y-FAMILY DNA POLYMERASE WITH UNIQUE STRUCTURAL GAP
Descriptor:5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*AP*T)-3', 5'-D(*TP*CP*AP*TP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', DNA polymerase IV, ...
Authors:Bauer, J., Ling, H., Sayer, J.M., Xing, G., Yagi, H., Jerina, D.M.
Deposit date:2006-09-11
Release date:2007-09-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A structural gap in Dpo4 supports mutagenic bypass of a major benzo[a]pyrene dG adduct in DNA through template misalignment.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2LZK
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NMR SOLUTION STRUCTURE OF AN N2-GUANINE DNA ADDUCT DERIVED FROM THE POTENT TUMORIGEN DIBENZO[A,L]PYRENE: INTERCALATION FROM THE MINOR GROOVE WITH RUPTURED WATSON-CRICK BASE PAIRING
Descriptor:DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3'), (11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
Authors:Tang, Y., Liu, Z., Ding, S., Lin, C.H., Cai, Y., Rodriguez, F.A., Sayer, J.M., Jerina, D.M., Amin, S., Broyde, S., Geacintov, N.E.
Deposit date:2012-10-04
Release date:2012-11-21
Last modified:2013-02-20
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Solution Structure of an N(2)-Guanine DNA Adduct Derived from the Potent Tumorigen Dibenzo[a,l]pyrene: Intercalation from the Minor Groove with Ruptured Watson-Crick Base Pairing.
Biochemistry, 51, 2012
2ROU
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STEREOSPECIFIC CONFORMATIONS OF N2-DG 1R-TRANS-ANTI-BENZO[C]PHENANTHRENE DNA ADDUCTS: 3'-INTERCALATION OF THE 1R ADDUCT AND 5'-MINOR GROOVE ORIENTATION OF THE 1S ADDUCT IN AN ITERATED (CG)3 REPEAT
Descriptor:DNA (5'-D(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3'), DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3'), (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL
Authors:Wang, Y., Kroth, H., Yagi, H., Sayer, J.M., Kumar, S., Jerina, D.M., Stone, M.P.
Deposit date:2008-04-20
Release date:2009-03-03
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:3'-Intercalation of a N2-dG 1R-trans-anti-benzo[c]phenanthrene DNA adduct in an iterated (CG)3 repeat
Chem.Res.Toxicol., 21, 2008
1S0M
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CRYSTAL STRUCTURE OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT IN A TERNARY COMPLEX WITH A DNA POLYMERASE
Descriptor:5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*T)-3', 5'-D(P*AP*TP*AP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*CP*A)-3', DNA polymerase IV, ...
Authors:Ling, H., Sayer, J.M., Boudsocq, F., Plosky, B.S., Woodgate, R., Yang, W.
Deposit date:2003-12-31
Release date:2004-03-30
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a benzo[a]pyrene diol epoxide adduct in a ternary complex with a DNA polymerase.
Proc.Natl.Acad.Sci.USA, 101, 2004
1T03
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HIV-1 REVERSE TRANSCRIPTASE CROSSLINKED TO TENOFOVIR TERMINATED TEMPLATE-PRIMER (COMPLEX P)
Descriptor:Synthetic oligonucleotide template, Synthetic oligonucleotide primer, POL polyprotein, ...
Authors:Tuske, S., Sarafianos, S.G., Ding, J., Arnold, E.
Deposit date:2004-04-07
Release date:2004-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of HIV-1 RT-DNA complexes before and after incorporation of the anti-AIDS drug tenofovir
Nat.Struct.Mol.Biol., 11, 2004
1T05
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HIV-1 REVERSE TRANSCRIPTASE CROSSLINKED TO TEMPLATE-PRIMER WITH TENOFOVIR-DIPHOSPHATE BOUND AS THE INCOMING NUCLEOTIDE SUBSTRATE
Descriptor:oligonucleotide template, oligonucleotide primer, POL polyprotein, ...
Authors:Tuske, S., Sarafianos, S.G., Ding, J., Arnold, E.
Deposit date:2004-04-07
Release date:2004-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of HIV-1 RT-DNA complexes before and after incorporation of the anti-AIDS drug tenofovir
Nat.Struct.Mol.Biol., 11, 2004
2I9G
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DNA POLYMERASE BETA WITH A BENZO[C]PHENANTHRENE DIOL EPOXIDE ADDUCTED GUANINE BASE
Descriptor:5'-D(P*GP*TP*CP*GP*G)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', ...
Authors:Batra, V.K., Wilson, S.H., Beard, W.A., Pedersen, L.C.
Deposit date:2006-09-05
Release date:2006-10-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of DNA polymerase beta with a benzo[c]phenanthrene diol epoxide-adducted template exhibits mutagenic features.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3JSM
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K65R MUTANT HIV-1 REVERSE TRANSCRIPTASE CROSS-LINKED TO DS-DNA AND COMPLEXED WITH TENOFOVIR-DIPHOSPHATE AS THE INCOMING NUCLEOTIDE SUBSTRATE
Descriptor:DNA (5'-D(*A*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT, ...
Authors:Das, K., Arnold, E.
Deposit date:2009-09-10
Release date:2009-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the role of the K65r mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance.
J.Biol.Chem., 284, 2009
3JYT
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K65R MUTANT HIV-1 REVERSE TRANSCRIPTASE CROSS-LINKED TO DS-DNA AND COMPLEXED WITH DATP AS THE INCOMING NUCLEOTIDE SUBSTRATE
Descriptor:HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, DNA (5'-D(*A*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
Authors:Das, K., Arnold, E.
Deposit date:2009-09-22
Release date:2009-10-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for the role of the K65r mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance.
J.Biol.Chem., 284, 2009