8SCU
| Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 48h (Product State) | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCT
| Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 24h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCS
| Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 8h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCR
| Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 4h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCQ
| Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 2h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCP
| Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 1h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCO
| Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 0h (Ground State) | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 3'-Amino DNA primer, CALCIUM ION, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCN
| Bst DNA polymerase I Large Fragment mutant F710Y/D598A with 3'-amino primer, dGTP, and calcium time-resolved 24h (Product State) | Descriptor: | CALCIUM ION, DIPHOSPHATE, DNA polymerase I, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCM
| Bst DNA polymerase I Large Fragment mutant F710Y/D598A with 3'-amino primer, dGTP, and calcium time-resolved 8h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCL
| Bst DNA polymerase I Large Fragment mutant F710Y/D598A with 3'-amino primer, dGTP, and calcium time-resolved 6h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCK
| Bst DNA polymerase I Large Fragment mutant F710Y/D598A with 3'-amino primer, dGTP, and calcium time-resolved 4h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCJ
| Bst DNA polymerase I Large Fragment mutant F710Y/D598A with 3'-amino primer, dGTP, and calcium time-resolved 2h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCI
| Bst DNA polymerase I Large Fragment mutant F710Y/D598A with 3'-amino primer, dGTP, and calcium time-resolved 1h | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8SCG
| Bst DNA polymerase I Large Fragment mutant F710Y/D598A with 3'-amino primer, dGTP, and calcium time-resolved 0h (Ground State) | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 3'-Amino DNA Primer, CALCIUM ION, ... | Authors: | Fang, Z, Lelyveld, V.S, Szostak, J.W. | Deposit date: | 2023-04-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science, 382, 2023
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8OOY
| Pol I bound to extended and displaced DNA section - open conformation | Descriptor: | DNA polymerase I, Displacing Primer, Extending Primer, ... | Authors: | Botto, M, Borsellini, A, Lamers, M.H. | Deposit date: | 2023-04-06 | Release date: | 2023-08-09 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | A four-point molecular handover during Okazaki maturation. Nat.Struct.Mol.Biol., 30, 2023
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8OO6
| Pol I bound to extended and displaced DNA section - closed conformation | Descriptor: | DNA polymerase I, Displaced primer, Extending Primer, ... | Authors: | Botto, M, Borsellini, A, Lamers, M.H. | Deposit date: | 2023-04-04 | Release date: | 2023-08-09 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | A four-point molecular handover during Okazaki maturation. Nat.Struct.Mol.Biol., 30, 2023
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8JRB
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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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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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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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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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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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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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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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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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