7ZUS
 
 | | Crystal structure of ternary complex of Pol theta polymerase domain | | 分子名称: | 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'), ... | | 著者 | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | 登録日 | 2022-05-13 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | 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
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8E24
 | | Human DNA polymerase theta in complex with allosteric inhibitor | | 分子名称: | 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, ... | | 著者 | Mader, P, Pau, V.P.T, Sicheri, F. | | 登録日 | 2022-08-13 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
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8E23
 | | Human DNA polymerase theta in complex with allosteric inhibitor | | 分子名称: | 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'), ... | | 著者 | Mader, P, Pau, V.P.T, Sicheri, F. | | 登録日 | 2022-08-13 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
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7ZX1
 | | Crystal structure of Pol theta polymerase domain in complex with compound 22 | | 分子名称: | (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'), ... | | 著者 | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | 登録日 | 2022-05-19 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.829 Å) | | 主引用文献 | 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
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5AGA
 | | Crystal structure of the Helicase domain of human DNA polymerase theta in complex with AMPPNP | | 分子名称: | CITRATE ANION, DNA POLYMERASE THETA, MAGNESIUM ION, ... | | 著者 | Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2015-01-29 | | 公開日 | 2015-02-25 | | 最終更新日 | 2015-12-16 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
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7ZX0
 | | Crystal structure of Pol theta polymerase domain in complex with compound 5 | | 分子名称: | 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'), ... | | 著者 | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | 登録日 | 2022-05-19 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | 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
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9C5Q
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8W0A
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5A9F
 | | Crystal structure of the Helicase domain of human DNA polymerase theta in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA POLYMERASE THETA, MAGNESIUM ION, ... | | 著者 | Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2015-07-21 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
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8GD7
 | | Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor | | 分子名称: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate, DNA Primer, ... | | 著者 | Fried, W.A, Chen, X.S, Li, S.X. | | 登録日 | 2023-03-03 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | | 主引用文献 | Discovery of a small-molecule inhibitor that traps Pol theta on DNA and synergizes with PARP inhibitors.
Nat Commun, 15, 2024
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6XBU
 | | polymerase domain of polymerase-theta | | 分子名称: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*TP*CP*AP*TP*TP*G)-3'), DNA polymerase theta, ... | | 著者 | Chen, X, Pomerantz, R, Zhao, J. | | 登録日 | 2020-06-07 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 | Pol theta reverse transcribes RNA and promotes RNA-templated DNA repair.
Sci Adv, 7, 2021
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9BH6
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9BH7
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9BHA
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9ASL
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9ASJ
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9BH9
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5A9J
 | | Crystal structure of the Helicase domain of human DNA polymerase theta, apo-form | | 分子名称: | DNA POLYMERASE THETA | | 著者 | Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2015-07-21 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | | 主引用文献 | Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
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9BH8
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9ASK
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4X0Q
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4X0P
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