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1NR8
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BU of 1nr8 by Molmil
The crystal structure of a D-Lysine-based chiral PNA-DNA duplex
Descriptor: 5'-D(P*AP*GP*TP*GP*AP*TP*CP*TP*AP*C)-3', H-((GPN)*(TPN)*(APN)*(GPN)*(A66)*(T66)*(C66)*(APN)*(CPN)*(TPN))-NH2, MAGNESIUM ION
Authors:Menchise, V, De Simone, G, Tedeschi, T, Corradini, R, Sforza, S, Marchelli, R, Capasso, D, Saviano, M, Pedone, C.
Deposit date:2003-01-24
Release date:2003-10-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex
Proc.Natl.Acad.Sci.USA, 100, 2003
3KFX
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BU of 3kfx by Molmil
Human dCK complex with 5-Me dC and ADP
Descriptor: 5-METHYL-2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase
Authors:Hazra, S, Lavie, A.
Deposit date:2009-10-28
Release date:2010-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural and kinetic characterization of human deoxycytidine kinase variants able to phosphorylate 5-substituted deoxycytidine and thymidine analogues .
Biochemistry, 49, 2010
3MBS
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BU of 3mbs by Molmil
Crystal structure of 8mer PNA
Descriptor: 1,2-ETHANEDIOL, Peptide Nucleic Acid
Authors:Yeh, J.I, Pohl, E, Truan, D, He, W, Sheldrick, G.M, Achim, C.
Deposit date:2010-03-26
Release date:2011-03-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:The crystal structure of non-modified and bipyridine-modified PNA duplexes.
Chemistry, 16, 2010
4QKK
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BU of 4qkk by Molmil
Crystal structure of an oligonucleotide containing 5-formylcytosine
Descriptor: DNA (5'-D(*CP*TP*AP*(5FC)P*GP*(5FC)P*GP*(5FC)P*GP*TP*AP*G)-3')
Authors:Raiber, E.-A, Murat, P, Chirgadze, D.Y, Luisi, B.F, Balasubramanian, S.
Deposit date:2014-06-06
Release date:2014-12-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:5-Formylcytosine alters the structure of the DNA double helix.
Nat.Struct.Mol.Biol., 22, 2015
3HP1
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BU of 3hp1 by Molmil
Crystal structure of human dCK R104M/D133A in complex with L-dT and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, L-deoxythymidine
Authors:Hazra, S, Lavie, A.
Deposit date:2009-06-03
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Extending Thymidine Kinase Activity to the Catalytic Repertoire of Human Deoxycytidine Kinase.
Biochemistry, 48, 2009
3THW
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BU of 3thw by Molmil
Human MutSbeta complexed with an IDL of 4 bases (Loop4) and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA Loop4 hairpin, DNA mismatch repair protein Msh2, ...
Authors:Yang, W.
Deposit date:2011-08-19
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops
Nat.Struct.Mol.Biol., 19, 2012
3THZ
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BU of 3thz by Molmil
Human MutSbeta complexed with an IDL of 6 bases (Loop6) and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA Loop6 minus strand, DNA Loop6 plus strand, ...
Authors:Yang, W.
Deposit date:2011-08-19
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Mechanism of mismatch repair revealed by human MutS bound to unpaired DNA loops
Nat.Struct.Mol.Biol., 19, 2012
3THX
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BU of 3thx by Molmil
Human MutSbeta complexed with an IDL of 3 bases (Loop3) and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA Loop3 minus strand, DNA Loop3 plus strand, ...
Authors:Yang, W.
Deposit date:2011-08-19
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops
Nat.Struct.Mol.Biol., 19, 2012
3THY
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BU of 3thy by Molmil
Human MutSbeta complexed with an IDL of 2 bases (Loop2) and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA Loop2 minus strand, DNA Loop2 plus strand, ...
Authors:Yang, W.
Deposit date:2011-08-19
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Mechanism of mismatch repair revealed by human MutSbeta bound to unpaired DNA loops
Nat.Struct.Mol.Biol., 19, 2012
6OD3
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BU of 6od3 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 13-bp Oligonucleotide Containing E-box Sequence
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*AP*CP*AP*CP*GP*TP*GP*TP*AP*T)-3'), ...
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2019-03-25
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019
6OD4
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BU of 6od4 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 11-bp Oligonucleotide Containing E-box Sequence
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*CP*GP*TP*GP*TP*A)-3'), Transcription factor 4
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2019-03-25
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019
1WV6
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BU of 1wv6 by Molmil
X-ray structure of the A-decamer GCGTATACGC with a single 2'-O-butyl thymine in place of T6, Sr-form
Descriptor: 5'-D(*GP*CP*GP*TP*AP*(2BT)P*AP*CP*GP*C)-3', STRONTIUM ION
Authors:Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharam, M.
Deposit date:2004-12-11
Release date:2005-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Probing the influence of stereoelectronic effects on the biophysical properties of oligonucleotides: comprehensive analysis of the RNA affinity, nuclease resistance, and crystal structure of ten 2'-O-ribonucleic acid modifications.
Biochemistry, 44, 2005
1WV5
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BU of 1wv5 by Molmil
X-ray structure of the A-decamer GCGTATACGC with a single 2'-o-butyl thymine in place of T6, Mg-form
Descriptor: 5'-D(*GP*CP*GP*TP*AP*(2BT)P*AP*CP*GP*C)-3', MAGNESIUM ION
Authors:Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharam, M.
Deposit date:2004-12-11
Release date:2005-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Probing the influence of stereoelectronic effects on the biophysical properties of oligonucleotides: comprehensive analysis of the RNA affinity, nuclease resistance, and crystal structure of ten 2'-O-ribonucleic acid modifications.
Biochemistry, 44, 2005
1XJ9
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BU of 1xj9 by Molmil
Crystal structure of a partly self-complementary peptide nucleic acid (PNA) oligomer showing a duplex-triplex network
Descriptor: peptide nucleic acid, (H-P(*GPN*TPN*APN*GPN*APN*TPN*CPN*APN*CPN*TPN)-LYS-NH2)
Authors:Petersson, B, Nielsen, B.B, Rasmussen, H, Larsen, I.K, Gajhede, M, Nielsen, P.E, Kastrup, J.S.
Deposit date:2004-09-23
Release date:2005-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of a Partly Self-Complementary Peptide Nucleic Acid (PNA) Oligomer Showing a Duplex-Triplex Network
J.Am.Chem.Soc., 127, 2005
7DO1
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BU of 7do1 by Molmil
Solution structure of a heteromolecular telomeric (3+1) G-quadruplex containing right loop progression
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*G)-3')
Authors:Fu, W.Q, Jing, H.T, Zhang, N.
Deposit date:2020-12-11
Release date:2021-09-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Two coexisting pseudo-mirror heteromolecular telomeric G-quadruplexes in opposite loop progressions differentially recognized by a low equivalent of Thioflavin T.
Nucleic Acids Res., 49, 2021
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
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
2XCP
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BU of 2xcp by Molmil
TERNARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE, 7,8- DIHYDRO-8-OXODEOXYGUANINE MODIFIED DNA AND dCTP - MAGNESIUM FORM
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP *TP*DOC)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Irimia, A, Egli, M.
Deposit date:2010-04-24
Release date:2010-09-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Metal Ion Dependence of the Active Site Conformation of the Trans-Lesion DNA Polymerase Dpo4 from Sulfolobus Solfataricus
Acta Crystallogr.,Sect.F, 66, 2010
2XCA
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BU of 2xca by Molmil
TERNARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE, 7,8- DIHYDRO-8-OXODEOXYGUANINE MODIFIED DNA AND dGTP - MAGNESIUM FORM
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*DOC)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP*CP*TP*TP*CP* CP*CP*CP*C)-3', ...
Authors:Irimia, A, Egli, M.
Deposit date:2010-04-20
Release date:2010-09-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Metal Ion Dependence of the Active Site Conformation of the Trans-Lesion DNA Polymerase Dpo4 from Sulfolobus Solfataricus
Acta Crystallogr.,Sect.F, 66, 2010
2XC9
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BU of 2xc9 by Molmil
BINARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE AND 1, N2-ETHENOGUANINE MODIFIED DNA, MAGNESIUM FORM
Descriptor: 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*G)-3', 5'-D(*TP*CP*AP*CP*GNEP*GP*AP*AP*TP*CP*CP*TP*TP* CP*CP*CP*CP*C)-3', DNA POLYMERASE IV
Authors:Irimia, A, Loukachevitch, L.V, Egli, M.
Deposit date:2010-04-20
Release date:2010-09-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metal Ion Dependence of the Active Site Conformation of the Trans-Lesion DNA Polymerase Dpo4 from Sulfolobus Solfataricus
Acta Crystallogr.,Sect.F, 66, 2010
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
2W8L
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BU of 2w8l by Molmil
Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in anti orientation
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*N2GP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L, Zhang, H, Egli, M, Guengerich, F.P.
Deposit date:2009-01-16
Release date:2009-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Versatility of Y-Family Sulfolobus Solfataricus DNA Polymerase Dpo4 in Translesion Synthesis Past Bulky N2-Alkylguanine Adducts.
J.Biol.Chem., 284, 2009
2W8K
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BU of 2w8k by Molmil
Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in syn orientation
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*N2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L, Zhang, H, Egli, M, Guengerich, F.P.
Deposit date:2009-01-16
Release date:2009-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Versatility of Y-Family Sulfolobus Solfataricus DNA Polymerase Dpo4 in Translesion Synthesis Past Bulky N2-Alkylguanine Adducts.
J.Biol.Chem., 284, 2009

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