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PDB: 42 件
6W7L
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Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p
分子名称: 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S.
登録日2020-03-19
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
6DJG
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Crystal structure of Tdp1 catalytic domain in complex with compound XZ503
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-8-sulfoquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6DJH
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Crystal structure of Tdp1 catalytic domain in complex with compound XZ515
分子名称: 1,2-ETHANEDIOL, 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6N0O
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BU of 6n0o by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ523
分子名称: 1,2-ETHANEDIOL, 4-nitrobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-11-07
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Crystal structure of Tdp1 catalytic domain
To Be Published
6MZ0
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Crystal structure of Tdp1 catalytic domain in complex with compound XZ530
分子名称: 1,2-ETHANEDIOL, 5-hydroxypyrazine-2,3-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Structure of Tdp1 catalytic domain in complex with compound XZ530
To Be Published
1MU7
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Crystal Structure of a Human Tyrosyl-DNA Phosphodiesterase (Tdp1)-Tungstate Complex
分子名称: GLYCEROL, TUNGSTATE(VI)ION, Tyrosyl-DNA Phosphodiesterase
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J.
登録日2002-09-23
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights Into Substrate Binding and Catalytic Mechanism of Human Tyrosyl-DNA Phosphodiesterase (Tdp1) from Vanadate- and Tungstate-Inhibited Structures
J.Mol.Biol., 324, 2003
1RGT
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Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTC
分子名称: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*C)-3', ...
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
登録日2003-11-12
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
5NW9
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Crystal structure of the complex of Tdp1 with duplex DNA
分子名称: DNA (5'-D(P*TP*GP*CP*GP*CP*AP*GP*TP*A)-3'), Tyrosyl-DNA phosphodiesterase 1
著者Richardson, J.M, Ruksenaite, E, Morris, E.R.
登録日2017-05-05
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural basis for DNA 3'-end processing by human tyrosyl-DNA phosphodiesterase 1.
Nat Commun, 9, 2018
1MU9
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Crystal Structure of a Human Tyrosyl-DNA Phosphodiesterase (Tdp1)-Vanadate Complex
分子名称: GLYCEROL, Tyrosyl-DNA Phosphodiesterase, VANADATE ION
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J.
登録日2002-09-23
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Insights Into Substrate Binding and Catalytic Mechanism of Human Tyrosyl-DNA Phosphodiesterase (Tdp1) from Vanadate- and Tungstate-Inhibited Structures
J.Mol.Biol., 324, 2002
1RG2
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Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTA
分子名称: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*A)-3', ...
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
登録日2003-11-11
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1RG1
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Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTT
分子名称: 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*T)-3', SPERMINE, ...
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
登録日2003-11-10
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1RFI
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Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, pentapeptide KLNYK, and tetranucleotide AGTC
分子名称: 5'-D(*AP*GP*TP*C)-3', SPERMINE, Topoisomerase I-Derived Peptide, ...
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
登録日2003-11-10
公開日2004-03-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1RGU
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BU of 1rgu by Molmil
The crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTG
分子名称: 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*G)-3', SPERMINE, ...
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
登録日2003-11-13
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1NOP
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BU of 1nop by Molmil
Crystal structure of human tyrosyl-DNA phosphodiesterase (Tdp1) in complex with vanadate, DNA and a human topoisomerase I-derived peptide
分子名称: 5'-D(*AP*GP*AP*GP*TP*T)-3', VANADATE ION, topoisomerase I-derived peptide, ...
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J.
登録日2003-01-16
公開日2003-03-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a transition state mimic for Tdp1 assembled from vanadate, DNA, and a topoisomerase I-derived peptide
Chem.Biol., 10, 2003
1RH0
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Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine and trinucleotide GTT
分子名称: 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*GP*TP*T)-3', SPERMINE, ...
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
登録日2003-11-13
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1QZQ
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human Tyrosyl DNA phosphodiesterase
分子名称: tyrosyl-DNA phosphodiesterase 1
著者Raymond, A.C, Rideout, M.C, Staker, B, Hjerrild, K, Burgin Jr, A.B.
登録日2003-09-17
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Analysis of Human Tyrosyl-DNA Phosphodiesterase I Catalytic Residues.
J.Mol.Biol., 338, 2004
5NWA
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Crystal structure of the complex of Tdp1 with duplex DNA
分子名称: DNA (5'-D(P*AP*AP*TP*GP*CP*GP*CP*AP*TP*TP*A)-3'), Tyrosyl-DNA phosphodiesterase 1
著者Richardson, J.M, Ruksenaite, E, Morris, E.R.
登録日2017-05-05
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for DNA 3'-end processing by human tyrosyl-DNA phosphodiesterase 1.
Nat Commun, 9, 2018
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