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PDB: 160 件
8ELS
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BU of 8els by Molmil
HRAS R97A Crystal Form 1 R-state
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Davis, D, Johnson, C.W, Mattos, C.
登録日2022-09-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.267 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
1MU7
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BU of 1mu7 by Molmil
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
1MU9
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BU of 1mu9 by Molmil
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
5W8L
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BU of 5w8l by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ...
著者Davies, D.R, Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
4ZBN
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BU of 4zbn by Molmil
Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-nerve growth factor, DNA (28-MER)
著者Davies, D.R, Edwards, T.E.
登録日2015-04-15
公開日2015-06-10
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor.
Structure, 23, 2015
4WXR
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BU of 4wxr by Molmil
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
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
4NI9
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BU of 4ni9 by Molmil
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2
分子名称: Interleukin-6, SODIUM ION, SOMAmer SL1025
著者Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
登録日2013-11-05
公開日2014-01-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
1RFI
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BU of 1rfi by Molmil
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
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
1RG2
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BU of 1rg2 by Molmil
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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BU of 1rg1 by Molmil
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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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
1RH0
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BU of 1rh0 by Molmil
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
4NI7
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BU of 4ni7 by Molmil
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025)
分子名称: Interleukin-6, SODIUM ION, SOMAmer SL1025
著者Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
登録日2013-11-05
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
4HQX
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BU of 4hqx by Molmil
CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A Modified nucleotide aptamer (SOMAmer SL4)
分子名称: MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ...
著者Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C.
登録日2012-10-26
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012
1RFF
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BU of 1rff by Molmil
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
3OCT
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BU of 3oct by Molmil
Crystal structure of bruton's tyrosine kinase mutant V555R in complex with dasatinib
分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase BTK
著者Davies, D.R, Staker, B.L.
登録日2010-08-10
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
To be Published
3OCS
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BU of 3ocs by Molmil
Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746
分子名称: 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, SULFATE ION, ...
著者Davies, D.R, Gallion, S.L, Staker, B.L.
登録日2010-08-10
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
To be Published
4HQU
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BU of 4hqu by Molmil
Crystal structure of human PDGF-BB in complex with a modified nucleotide aptamer (SOMAmer SL5)
分子名称: MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ...
著者Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C.
登録日2012-10-26
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012
3F2B
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BU of 3f2b by Molmil
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
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
3FTZ
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BU of 3ftz by Molmil
Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline
分子名称: 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-13
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 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

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件を2024-07-17に公開中

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