8GD7
 
 | | Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate, DNA Primer, ... | | Authors: | Fried, W.A, Chen, X.S, Li, S.X. | | Deposit date: | 2023-03-03 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | 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 | | 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
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7ZX0
 | | 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
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7ZUS
 | | 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
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7ZX1
 | | 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
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8E23
 | | 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
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8E24
 | | 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
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8EFK
 | | 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: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of DNA polymerase theta mediated DNA end joining.
Nucleic Acids Res., 51, 2023
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8EF9
 | | 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: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural basis of DNA polymerase theta mediated DNA end joining.
Nucleic Acids Res., 51, 2023
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8EFC
 | | 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: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of DNA polymerase theta mediated DNA end joining.
Nucleic Acids Res., 51, 2023
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4X0P
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4X0Q
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4UQG
 | | 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
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5KTQ
 | | LARGE FRAGMENT OF TAQ DNA POLYMERASE BOUND TO DCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, PROTEIN (DNA POLYMERASE I) | | Authors: | Li, Y, Kong, Y, Korolev, S, Waksman, G. | | Deposit date: | 1998-09-22 | | Release date: | 1998-09-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the Klenow fragment of Thermus aquaticus DNA polymerase I complexed with deoxyribonucleoside triphosphates.
Protein Sci., 7, 1998
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1JXE
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4KTQ
 | | BINARY COMPLEX OF THE LARGE FRAGMENT OF DNA POLYMERASE I FROM T. AQUATICUS BOUND TO A PRIMER/TEMPLATE DNA | | Descriptor: | DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), PROTEIN (LARGE FRAGMENT OF DNA POLYMERASE I) | | Authors: | Li, Y, Waksman, G. | | Deposit date: | 1998-09-09 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of open and closed forms of binary and ternary complexes of the large fragment of Thermus aquaticus DNA polymerase I: structural basis for nucleotide incorporation.
EMBO J., 17, 1998
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7R0K
 | | Crystal structure of Polymerase I from phage G20c | | Descriptor: | DNA polymerase I | | Authors: | Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Linares-Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Ahlqvist, J. | | Deposit date: | 2022-02-02 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.972 Å) | | Cite: | Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
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3BDP
 | | 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
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5SZT
 | | Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 7-(N-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-dATP | | Descriptor: | 7-(N-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-dATP, ACETATE ION, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | | Authors: | Hottin, A, Betz, K, Marx, A. | | Deposit date: | 2016-08-15 | | Release date: | 2016-12-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for the KlenTaq DNA Polymerase Catalysed Incorporation of Alkene- versus Alkyne-Modified Nucleotides.
Chemistry, 23, 2017
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6Q4V
 | | KlenTaq DNA polymerase in complex with dATP | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6N9W
 | | Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS2) | | Descriptor: | DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ... | | Authors: | Gao, Y, Cui, Y, Zhou, Z, Yang, W. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-06 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures and operating principles of the replisome.
Science, 363, 2019
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7PBK
 | | Vibriophage phiVC8 family A DNA polymerase (DpoZ), two conformations: thumb-exo open and thumb-exo closed | | Descriptor: | DNA polymerase I | | Authors: | Czernecki, D, Hu, H, Romoli, F, Delarue, M. | | Deposit date: | 2021-08-02 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural dynamics and determinants of 2-aminoadenine specificity in DNA polymerase DpoZ of vibriophage phi VC8.
Nucleic Acids Res., 49, 2021
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7OWF
 | | KlenTaq DNA polymerase in a ternary complex with primer/template and the fluorescent nucleotide analog BFdUTP | | Descriptor: | DNA polymerase I, thermostable, GLYCEROL, ... | | Authors: | Betz, K, Srivatsan, S.G. | | Deposit date: | 2021-06-18 | | Release date: | 2022-06-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Microenvironment-Sensitive Fluorescent Nucleotide Probes from Benzofuran, Benzothiophene, and Selenophene as Substrates for DNA Polymerases.
J.Am.Chem.Soc., 144, 2022
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6Q4U
 | | KlenTaq DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*(DOC))-3'), ... | | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide.
Angew.Chem.Int.Ed.Engl., 58, 2019
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7SXQ
 | | Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag | | Descriptor: | 1,2-ETHANEDIOL, Apicoplast DNA polymerase, CHLORIDE ION, ... | | Authors: | Nieto, N, Chheda, P, Kerns, R, Nelson, S, Honzatko, R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum.
Eur.J.Med.Chem., 243, 2022
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