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4X0P
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BU of 4x0p by Molmil
Ternary complex of human DNA polymerase theta C-terminal domain binding ddATP opposite a tetrahydrofuran AP site analog
Descriptor: 2',3'-dideoxyadenosine triphosphate, CALCIUM ION, DNA (5'-D(*CP*GP*TP*TP*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), ...
Authors:Zahn, K.E, Doublie, S.
Deposit date:2014-11-21
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.911 Å)
Cite:Human DNA polymerase theta grasps the primer terminus to mediate DNA repair.
Nat.Struct.Mol.Biol., 22, 2015
4X0Q
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BU of 4x0q by Molmil
Ternary complex of human DNA polymerase theta C-terminal domain binding ddGTP opposite dCMP
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ...
Authors:Zahn, K.E, Doublie, S.
Deposit date:2014-11-22
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Human DNA polymerase theta grasps the primer terminus to mediate DNA repair.
Nat.Struct.Mol.Biol., 22, 2015
3KD5
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BU of 3kd5 by Molmil
Closed ternary complex of an RB69 gp43 fingers domain mutant complexed with an acyclic GMP terminated primer template pair and phosphonoformic acid.
Descriptor: DNA (5'-D(*CP*GP*TP*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*(4DG))-3'), DNA polymerase, ...
Authors:Zahn, K.E, Doublie, S.
Deposit date:2009-10-22
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Phosphonoformic acid inhibits viral replication by trapping the closed form of the DNA polymerase.
J.Biol.Chem., 286, 2011
3KD1
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BU of 3kd1 by Molmil
Closed binary complex of an RB69 gp43 fingers domain mutant complexed with an acyclic GMP terminated primer template pair.
Descriptor: DNA (5'-D(*CP*GP*TP*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*(4DG))-3'), DNA polymerase, ...
Authors:Zahn, K.E, Doublie, S.
Deposit date:2009-10-22
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Phosphonoformic acid inhibits viral replication by trapping the closed form of the DNA polymerase.
J.Biol.Chem., 286, 2011
3TAF
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BU of 3taf by Molmil
5-fluorocytosine paired with ddGMP in RB69 gp43
Descriptor: DNA (5'-D(*CP*CP*(C37)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*G)-3'), DNA-directed DNA polymerase, ...
Authors:Zahn, K.E.
Deposit date:2011-08-04
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site.
Biochemistry, 50, 2011
3TAG
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BU of 3tag by Molmil
5-fluorocytosine paired with dAMP in RB69 gp43
Descriptor: DNA (5'-D(*CP*CP*(C37)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*A)-3'), DNA-directed DNA polymerase, ...
Authors:Zahn, K.E.
Deposit date:2011-08-04
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site.
Biochemistry, 50, 2011
3TAE
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BU of 3tae by Molmil
5-hydroxycytosine paired with dAMP in RB69 gp43
Descriptor: DNA (5'-D(*CP*CP*(5OC)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*A)-3'), DNA polymerase, ...
Authors:Zahn, K.E.
Deposit date:2011-08-04
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site.
Biochemistry, 50, 2011
3TAB
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BU of 3tab by Molmil
5-hydroxycytosine paired with dGMP in RB69 gp43
Descriptor: DNA (5'-D(*CP*CP*(5OC)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*G)-3'), DNA polymerase, ...
Authors:Zahn, K.E.
Deposit date:2011-08-03
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site.
Biochemistry, 50, 2011
2OYQ
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BU of 2oyq by Molmil
Crystal structure of RB69 gp43 in complex with DNA with 5-NIMP opposite an abasic site analog
Descriptor: 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE, DNA polymerase, MAGNESIUM ION, ...
Authors:Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
Deposit date:2007-02-22
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
2P5G
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BU of 2p5g by Molmil
Crystal structure of RB69 gp43 in complex with DNA with dAMP opposite an abasic site analog in a 21mer template
Descriptor: DNA polymerase, Primer DNA, Template DNA
Authors:Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
Deposit date:2007-03-15
Release date:2007-10-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
2OZS
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BU of 2ozs by Molmil
Crystal structure of RB69 gp43 in complex with DNA with dATP opposite dTMP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA polymerase, MAGNESIUM ION, ...
Authors:Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
Deposit date:2007-02-27
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
2OZM
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BU of 2ozm by Molmil
Crystal structure of RB69 gp43 in complex with DNA with 5-NITP opposite an abasic site analog
Descriptor: 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE, DNA polymerase, MAGNESIUM ION, ...
Authors:Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
Deposit date:2007-02-26
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Caught Bending the A-Rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide
Biochemistry, 46, 2007
7RDS
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BU of 7rds by Molmil
Structure of human NTHL1
Descriptor: IRON/SULFUR CLUSTER, Isoform 3 of Endonuclease III-like protein 1
Authors:Carroll, B.L, Zahn, K.E, Doublie, S.
Deposit date:2021-07-11
Release date:2021-12-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Caught in motion: human NTHL1 undergoes interdomain rearrangement necessary for catalysis.
Nucleic Acids Res., 49, 2021
8E23
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BU of 8e23 by Molmil
Human DNA polymerase theta in complex with allosteric inhibitor
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), DNA (5'-D(*GP*C*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ...
Authors:Mader, P, Pau, V.P.T, Sicheri, F.
Deposit date:2022-08-13
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
8E24
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BU of 8e24 by Molmil
Human DNA polymerase theta in complex with allosteric inhibitor
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide, DNA, ...
Authors:Mader, P, Pau, V.P.T, Sicheri, F.
Deposit date:2022-08-13
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
7RDT
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BU of 7rdt by Molmil
Structure of human NTHL1 - linker 1 chimera
Descriptor: IRON/SULFUR CLUSTER, Isoform 3 of Endonuclease III-like protein 1
Authors:Carroll, B.L, Doublie, S.
Deposit date:2021-07-11
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Caught in motion: human NTHL1 undergoes interdomain rearrangement necessary for catalysis.
Nucleic Acids Res., 49, 2021

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