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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1L3T
 | | Crystal Structure of Bacillus DNA Polymerase I Fragment product complex with 10 base pairs of duplex DNA following addition of a single dTTP residue | | Descriptor: | 5'-D(*GP*AP*CP*G*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*T)-3', DNA Polymerase I, ... | | Authors: | Johnson, S.J, Taylor, J.S, Beese, L.S. | | Deposit date: | 2002-03-01 | | Release date: | 2003-03-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Processive DNA synthesis observed in a polymerase crystal suggests a
mechanism for the prevention of frameshift mutations
Proc.Natl.Acad.Sci.USA, 100, 2003
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4O0I
 | | 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
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6DSV
 | | Bst DNA polymerase I post-chemistry (n+2) structure | | Descriptor: | DNA (5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*TP*A)-3'), DNA (5'-D(P*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3'), DNA polymerase I, ... | | Authors: | Chim, N, Jackson, L.N, Chaput, J.C. | | Deposit date: | 2018-06-14 | | Release date: | 2018-10-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal structures of DNA polymerase I capture novel intermediates in the DNA synthesis pathway.
Elife, 7, 2018
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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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3EYZ
 | | 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
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6P5C
 | | 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
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3EZ5
 | | 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
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2BDP
 | | 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: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Visualizing DNA replication in a catalytically active Bacillus DNA polymerase crystal.
Nature, 391, 1998
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4EZ6
 | | Bacillus DNA Polymerase I Large Fragment Complex 1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ... | | Authors: | Wang, W, Beese, L.S. | | Deposit date: | 2012-05-02 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structures of a High-fidelity DNA Polymerase
to be published
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4F4K
 | | DNA Polymerase I Large Fragment Complex 6 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ... | | Authors: | Wang, W, Beese, L.S. | | Deposit date: | 2012-05-10 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of a High-fidelity DNA Polymerase
to be published
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4F2R
 | | DNA Polymerase I Large Fragment complex 3 | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ... | | Authors: | Wang, W, Beese, L.S. | | Deposit date: | 2012-05-08 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structures of a High-fidelity DNA Polymerase
to be published
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3HPO
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3HT3
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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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3HP6
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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: | 2023-02-01 | | 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: | 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
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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: | 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
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1XC9
 | | Structure of a high-fidelity polymerase bound to a benzo[a]pyrene adduct that blocks replication | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA polymerase I, DNA primer strand, ... | | Authors: | Hsu, G.W, Huang, X, Luneva, N.P, Geacintov, N.E, Beese, L.S. | | Deposit date: | 2004-09-01 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a High Fidelity DNA Polymerase Bound to a Benzo[a]pyrene Adduct That Blocks Replication
J.Biol.Chem., 280, 2005
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1XWL
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