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8GD7
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BU of 8gd7 by Molmil
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
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
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
4X0Q
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Ternary complex of human DNA polymerase theta C-terminal domain binding ddGTP opposite dCMP
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ...
Authors:Zahn, K.E, Doublie, S.
Deposit date:2014-11-22
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Human DNA polymerase theta grasps the primer terminus to mediate DNA repair.
Nat.Struct.Mol.Biol., 22, 2015
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
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:2024-06-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of DNA polymerase theta mediated DNA end joining.
Nucleic Acids Res., 51, 2023
8EF9
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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
8EFC
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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
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
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
4YFU
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BU of 4yfu by Molmil
Crystal structure of open Bacillus fragment DNA polymerase bound to DNA and dTTP
Descriptor: DNA polymerase, Primer DNA, SULFATE ION, ...
Authors:Wu, E.Y.
Deposit date:2015-02-25
Release date:2015-07-22
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Closing Mechanism of DNA Polymerase I at Atomic Resolution.
Structure, 23, 2015
3RR8
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BU of 3rr8 by Molmil
Ternary Structure of the large fragment of Taq DNA polymerase bound to an abasic site and a ddGTP
Descriptor: (5'-D(*AP*AP*AP*(3DR)P*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Marx, A, Diederichs, K, Obeid, S.
Deposit date:2011-04-29
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Amino Acid templating mechanisms in selection of nucleotides opposite abasic sites by a family a DNA polymerase.
J.Biol.Chem., 287, 2012
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
1QTM
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BU of 1qtm by Molmil
DDTTP-TRAPPED CLOSED TERNARY COMPLEX OF THE LARGE FRAGMENT OF DNA POLYMERASE I FROM THERMUS AQUATICUS
Descriptor: 5'-D(*AP*AP*AP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(2DT))-3', DNA POLYMERASE I, ...
Authors:Li, Y, Mitaxov, V, Waksman, G.
Deposit date:1999-06-28
Release date:1999-08-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design of Taq DNA polymerases with improved properties of dideoxynucleotide incorporation.
Proc.Natl.Acad.Sci.USA, 96, 1999
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
5KTQ
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BU of 5ktq by Molmil
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
1BGX
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BU of 1bgx by Molmil
TAQ POLYMERASE IN COMPLEX WITH TP7, AN INHIBITORY FAB
Descriptor: TAQ DNA POLYMERASE, TP7 MAB
Authors:Murali, R, Sharkey, D.J, Daiss, J.L, Krishna Murthy, H.M.
Deposit date:1998-06-02
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Taq DNA polymerase in complex with an inhibitory Fab: the Fab is directed against an intermediate in the helix-coil dynamics of the enzyme.
Proc.Natl.Acad.Sci.USA, 95, 1998
4KTQ
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BU of 4ktq by Molmil
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
7R0K
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BU of 7r0k by Molmil
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
5SZT
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BU of 5szt by Molmil
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
6MU4
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BU of 6mu4 by Molmil
Bst DNA polymerase I FANA/DNA binary complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*CP*GP*T)-3'), DNA polymerase I, ...
Authors:Jackson, L.N, Chim, N, Chaput, J.C.
Deposit date:2018-10-22
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structures of a natural DNA polymerase that functions as an XNA reverse transcriptase.
Nucleic Acids Res., 47, 2019
2KZM
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BU of 2kzm by Molmil
KLENOW FRAGMENT WITH NORMAL SUBSTRATE AND ZINC AND MANGANESE
Descriptor: DNA (5'-D(*GP*CP*TP*TP*A*CP*GP*C)-3'), MANGANESE (II) ION, PROTEIN (DNA POLYMERASE I), ...
Authors:Brautigam, C.A, Sun, S, Piccirilli, J.A, Steitz, T.A.
Deposit date:1998-07-03
Release date:1999-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of normal single-stranded DNA and deoxyribo-3'-S-phosphorothiolates bound to the 3'-5' exonucleolytic active site of DNA polymerase I from Escherichia coli.
Biochemistry, 38, 1999
2KTQ
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BU of 2ktq by Molmil
OPEN TERNARY COMPLEX OF THE LARGE FRAGMENT OF DNA POLYMERASE I FROM THERMUS AQUATICUS
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 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'), ...
Authors:Li, Y, Waksman, G.
Deposit date:1998-07-30
Release date:1999-01-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 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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數據於2024-09-18公開中

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