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PDB: 130 件
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
1RFF
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Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octapeptide KLNYYDPR, and tetranucleotide AGTT.
分子名称: 5'-D(*AP*GP*TP*T)-3', SPERMINE, Topoisomerase I-Derived Peptide, ...
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
登録日2003-11-08
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 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
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
1RGT
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BU of 1rgt by Molmil
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
1RGU
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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
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
4WXR
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X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A resolution
分子名称: NS3, {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid
著者Davies, D.R, Kim, H, Lorimer, D.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound inhibitor
TO BE PUBLISHED
4WXP
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X-ray crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor at 2.08 A resolution
分子名称: (1-methyl-1H-indol-3-yl)acetic acid, CHLORIDE ION, NS3-4 protease, ...
著者Davies, D.R.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor
TO BE PUBLISHED
1NOP
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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
2B9S
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Crystal Structure of heterodimeric L. donovani topoisomerase I-vanadate-DNA complex
分子名称: 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', 5'-D(*AP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ...
著者Davies, D.R, Hol, W.G.J.
登録日2005-10-12
公開日2006-01-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The Structure of the Transition State of the Heterodimeric Topoisomerase I of Leishmania donovani as a Vanadate Complex with Nicked DNA.
J.Mol.Biol., 357, 2006
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
6Q13
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CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
著者Davies, D.R, Dranow, D.M.
登録日2019-08-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
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
1JY1
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BU of 1jy1 by Molmil
CRYSTAL STRUCTURE OF HUMAN TYROSYL-DNA PHOSPHODIESTERASE (TDP1)
分子名称: TYROSYL-DNA PHOSPHODIESTERASE
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J.
登録日2001-09-10
公開日2002-02-20
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The crystal structure of human tyrosyl-DNA phosphodiesterase, Tdp1.
Structure, 10, 2002
1B7E
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TRANSPOSASE INHIBITOR
分子名称: 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride, PROTEIN (TRANSPOSASE INHIBITOR PROTEIN FROM TN5)
著者Davies, D.R, Braam, L.M, Reznikoff, W.S, Rayment, I.
登録日1999-01-22
公開日1999-04-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The three-dimensional structure of a Tn5 transposase-related protein determined to 2.9A resolution.
J.Biol.Chem., 274, 1999
3F2B
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DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mg and Zn
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ...
著者Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C.
登録日2008-10-29
公開日2009-01-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
3FU6
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Leukotriene A4 hydrolase in complex with fragment (4-thiophen-2-ylphenyl)methanamine
分子名称: 1-(4-thiophen-2-ylphenyl)methanamine, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUN
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BU of 3fun by Molmil
Leukotriene A4 hydrolase in complex with {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUL
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BU of 3ful by Molmil
Leukotriene A4 hydrolase in complex with pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, YTTERBIUM (III) ION, ...
著者Davies, D.R.
登録日2009-01-14
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FTS
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BU of 3fts by Molmil
Leukotriene A4 hydrolase in complex with resveratrol
分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
著者Davies, D.R.
登録日2009-01-13
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTW
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BU of 3ftw by Molmil
Leukotriene A4 hydrolase in complex with fragments N-(pyridin-3-ylmethyl)aniline and acetate
分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
著者Davies, D.R.
登録日2009-01-13
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUD
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BU of 3fud by Molmil
Leukotriene A4 hydrolase in complex with N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUE
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Leukotriene A4 hydrolase in complex with fragment 5-chloroindole and bestatin
分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-chloro-1H-indole, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTY
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Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine
分子名称: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-13
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009

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件を2024-08-07に公開中

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