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6XBU
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BU of 6xbu by Molmil
polymerase domain of polymerase-theta
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*TP*CP*AP*TP*TP*G)-3'), DNA polymerase theta, ...
Authors:Chen, X, Pomerantz, R, Zhao, J.
Deposit date:2020-06-07
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Pol theta reverse transcribes RNA and promotes RNA-templated DNA repair.
Sci Adv, 7, 2021
4UQG
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BU of 4uqg by Molmil
A new bio-isosteric base pair based on reversible bonding
Descriptor: 5'-D(*AP*GP*GP*GP*A SAYP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*C T0TP*TP*CP*CP*CP*TP)-3', DNA POLYMERASE, ...
Authors:Tomas-Gamasa, M, Serdjukov, S, Su, M, Mueller, M, Carell, T.
Deposit date:2014-06-23
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:"Post-it" type connected DNA created with a reversible covalent cross-link.
Angew. Chem. Int. Ed. Engl., 54, 2015
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
7ZUS
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BU of 7zus by Molmil
Crystal structure of ternary complex of Pol theta polymerase domain
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), DNA (5'-D(P*TP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), ...
Authors:Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A.
Deposit date:2022-05-13
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
7ZX1
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BU of 7zx1 by Molmil
Crystal structure of Pol theta polymerase domain in complex with compound 22
Descriptor: (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ...
Authors:Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A.
Deposit date:2022-05-19
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.829 Å)
Cite:Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
7ZX0
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BU of 7zx0 by Molmil
Crystal structure of Pol theta polymerase domain in complex with compound 5
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ...
Authors:Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A.
Deposit date:2022-05-19
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
3BDP
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BU of 3bdp by Molmil
DNA POLYMERASE I/DNA COMPLEX
Descriptor: DNA (5'-D(*AP*GP*CP*AP*TP*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*GP*CP*2DT)-3'), PROTEIN (DNA POLYMERASE I), ...
Authors:Kiefer, J.R, Mao, C, Beese, L.S.
Deposit date:1997-11-17
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Visualizing DNA replication in a catalytically active Bacillus DNA polymerase crystal.
Nature, 391, 1998
2BDP
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BU of 2bdp by Molmil
CRYSTAL STRUCTURE OF BACILLUS DNA POLYMERASE I FRAGMENT COMPLEXED TO 9 BASE PAIRS OF DUPLEX DNA
Descriptor: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*GP*C)-3'), DNA (5'-D(P*AP*GP*CP*AP*TP*CP*AP*TP*GP*C)-3'), MAGNESIUM ION, ...
Authors:Kiefer, J.R, Mao, C, Beese, L.S.
Deposit date:1997-11-17
Release date:1999-01-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Visualizing DNA replication in a catalytically active Bacillus DNA polymerase crystal.
Nature, 391, 1998
4O0I
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BU of 4o0i by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with 2'-MeSe-arabino-guanosine derivatized DNA
Descriptor: 5'-D(*C*(1TW)P*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', DNA polymerase I, GLYCEROL, ...
Authors:Jiang, S, Gan, J, Sun, H, Huang, Z.
Deposit date:2013-12-13
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with 2'-MeSe-arabino-guanosine derivatized DNA
TO BE PUBLISHED
3EYZ
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BU of 3eyz by Molmil
Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA (open form)
Descriptor: 5'-D(*DAP*DTP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DGP*DA)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DGP*DC)-3', DNA polymerase I, ...
Authors:Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S.
Deposit date:2008-10-22
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis.
Structure, 18, 2010
3EZ5
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BU of 3ez5 by Molmil
Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA , dCTP, and zinc (closed form).
Descriptor: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DTP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DG)-3', ...
Authors:Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S.
Deposit date:2008-10-22
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis.
Structure, 18, 2010
6P5C
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BU of 6p5c by Molmil
Bacillus Fragment DNA polymerase mutant I716M
Descriptor: DNA (5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*TP*GP*AP*TP*CP*G)-3'), DNA polymerase I, ...
Authors:Wu, E.Y.
Deposit date:2019-05-30
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The importance of Ile716 toward the mutagenicity of 8-Oxo-2'-deoxyguanosine with Bacillus fragment DNA polymerase.
DNA Repair (Amst.), 89, 2020
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
8EFC
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BU of 8efc by Molmil
Structure of Lates calcarifer DNA polymerase theta polymerase domain with long duplex DNA, complex Ia
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*TP*GP*TP*GP*AP*GP*GP*CP*AP*TP*CP*CP*GP*TP*AP*GP*(2DA))-3'), DNA (5'-D(*AP*GP*CP*TP*CP*TP*AP*CP*GP*GP*AP*TP*GP*CP*CP*TP*CP*AP*CP*AP*G)-3'), ...
Authors:Li, C, Zhu, H, Sun, J, Gao, Y.
Deposit date:2022-09-08
Release date:2022-12-14
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of DNA polymerase theta mediated DNA end joining.
Nucleic Acids Res., 51, 2023
8EF9
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BU of 8ef9 by Molmil
Structure of Lates calcarifer DNA polymerase theta polymerase domain with long duplex DNA, complex Ia
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*GP*CP*AP*TP*CP*CP*GP*TP*AP*GP*(2DA))-3'), DNA (5'-D(*AP*GP*CP*TP*CP*TP*AP*CP*GP*GP*AP*TP*GP*C)-3'), ...
Authors:Li, C, Zhu, H, Sun, J, Gao, Y.
Deposit date:2022-09-08
Release date:2022-12-14
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis of DNA polymerase theta mediated DNA end joining.
Nucleic Acids Res., 51, 2023
8EFK
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BU of 8efk by Molmil
Structure of Lates calcarifer DNA polymerase theta polymerase domain with hairpin DNA
Descriptor: 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(P*TP*TP*TP*TP*GP*GP*CP*TP*TP*TP*TP*GP*CP*CP*(2DA))-3'), Lates calcarifer DNA polymerase theta, ...
Authors:Li, C, Zhu, H, Sun, J, Gao, Y.
Deposit date:2022-09-08
Release date:2022-12-14
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of DNA polymerase theta mediated DNA end joining.
Nucleic Acids Res., 51, 2023
3HP6
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BU of 3hp6 by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus F710Y mutant bound to G:T mismatch
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*CP*GP*CP*CP*GP*TP*GP*AP*TP*CP*G)-3', 5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*(DDG))-3', ...
Authors:Wu, E.Y, Beese, L.S.
Deposit date:2009-06-03
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The structure of a high fidelity DNA polymerase bound to a mismatched nucleotide reveals an "ajar" intermediate conformation in the nucleotide selection mechanism.
J.Biol.Chem., 286, 2011
3HPO
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BU of 3hpo by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus Y714S mutant bound to G:T mismatch
Descriptor: 5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*(DOC))-3', 5'-D(P*GP*GP*CP*GP*TP*GP*AP*TP*CP*G)-3', DNA polymerase I, ...
Authors:Wu, E.Y, Beese, L.S.
Deposit date:2009-06-04
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of a high fidelity DNA polymerase bound to a mismatched nucleotide reveals an "ajar" intermediate conformation in the nucleotide selection mechanism.
J.Biol.Chem., 286, 2011
3HT3
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BU of 3ht3 by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus V713P mutant bound to G:dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*CP*GP*GP*CP*GP*TP*GP*AP*TP*CP*G)-3', 5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*(DOC))-3', ...
Authors:Wu, E.Y, Beese, L.S.
Deposit date:2009-06-11
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of a high fidelity DNA polymerase bound to a mismatched nucleotide reveals an "ajar" intermediate conformation in the nucleotide selection mechanism.
J.Biol.Chem., 286, 2011
2XY7
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BU of 2xy7 by Molmil
Crystal structure of a salicylic aldehyde base in the pre-insertion site of fragment DNA polymerase I from Bacillus stearothermophilus
Descriptor: 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*GP)-3', 5'-D(*SAYP*CP*GP*AP*GP*TP*CP*AP*GP*GP*CP)-3', DNA POLYMERASE I, ...
Authors:Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T.
Deposit date:2010-11-15
Release date:2011-07-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair.
Nature Chem., 3, 2011
2Y1I
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BU of 2y1i by Molmil
Crystal structure of a S-diastereomer analogue of the spore photoproduct in complex with fragment DNA polymerase I from Bacillus stearothermophilus
Descriptor: 5'-D(*AP*GP*GP*GP*PBTP*THM*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*AP*AP*CP*CP*CP*TP)-3', DNA POLYMERASE I, ...
Authors:Heil, K, Schneider, S, Mueller, M, Kneuttinger, A.C, Carell, T.
Deposit date:2010-12-08
Release date:2011-07-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal Structures and Repair Studies Reveal the Identity and the Base-Pairing Properties of the Uv-Induced Spore Photoproduct DNA Lesion.
Chemistry, 17, 2011
2XY5
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BU of 2xy5 by Molmil
Crystal structure of an artificial salen-copper basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*SAYP*TP*CP*CP*CP*TP)-3', ...
Authors:Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T.
Deposit date:2010-11-15
Release date:2011-07-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair.
Nature Chem., 3, 2011
2Y1J
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BU of 2y1j by Molmil
CRYSTAL STRUCTURE OF A R-DIASTEREOMER ANALOGUE OF THE SPORE PHOTOPRODUCT IN COMPLEX WITH FRAGMENT DNA POLYMERASE I FROM BACILLUS STEAROTHERMOPHILUS
Descriptor: 5'-D(*AP*GP*GP*GP*QBTP*THM*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*AP*AP*CP*CP*CP*TP)-3', DNA POLYMERASE I, ...
Authors:Heil, K, Schneider, S, Mueller, M, Kneuttinger, A.C, Carell, T.
Deposit date:2010-12-08
Release date:2011-07-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structures and Repair Studies Reveal the Identity and the Base-Pairing Properties of the Uv-Induced Spore Photoproduct DNA Lesion.
Chemistry, 17, 2011
2XO7
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Crystal structure of a dA:O-allylhydroxylamine-dC basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus
Descriptor: 5'-D(*AP*GP*GP*AP*AP*TP*GP*GP*TP*CP*A)-3', 5'-D(*GP*AP*CP*CP*AP*TP*47C*CP*CP*T)-3', DNA POLYMERASE I, ...
Authors:Muenzel, M, Lercher, L, Mueller, M, Carell, T.
Deposit date:2010-08-10
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Chemical Discrimination between Dc and 5Medc Via Their Hydroxylamine Adducts
Nucleic Acids Res., 38, 2010

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