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PDB: 74 件
1IDT
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STRUCTURAL STUDIES ON A PRODRUG-ACTIVATING SYSTEM-CB1954 AND FMN-DEPENDENT NITROREDUCTASE
分子名称: 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN MONONUCLEOTIDE, MINOR FMN-DEPENDENT NITROREDUCTASE
著者Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S.
登録日2001-04-05
公開日2003-09-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form.
J.Med.Chem., 46, 2003
1L1H
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BU of 1l1h by Molmil
Crystal Structure of the Quadruplex DNA-Drug Complex
分子名称: 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Haider, S.M, Parkinson, G.N, Neidle, S.
登録日2002-02-16
公開日2003-02-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of a G-quadruplex-Ligand Complex
J.Mol.Biol., 326, 2003
1S47
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Crystal structure analysis of the DNA quadruplex d(TGGGGT)S2
分子名称: 5'-D(*TP*GP*GP*GP*GP*T)-3', SODIUM ION, THALLIUM (I) ION
著者Caceres, C, Wright, G, Gouyette, C, Parkinson, G, Subirana, J.A.
登録日2004-01-15
公開日2004-02-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Thymine tetrad in d(TGGGGT) quadruplexes stabilized with Tl+1/Na+1 ions
Nucleic Acids Res., 32, 2004
1S45
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Crystal structure analysis of the DNA quadruplex d(TGGGGT) S1
分子名称: 5'-D(*TP*GP*GP*GP*GP*T)-3', MAGNESIUM ION, SODIUM ION, ...
著者Caceres, C, Wright, G, Gouyette, C, Parkinson, G, Subirana, J.A.
登録日2004-01-15
公開日2004-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Thymine tetrad in d(TGGGGT) quadruplexes stabilized with Tl+1/Na+1 ions
Nucleic Acids Res., 32, 2004
1O3Q
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BU of 1o3q by Molmil
PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES
分子名称: 5'-D(*AP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
著者Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M.
登録日2003-03-18
公開日2003-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: DNA Binding Specificity Based on Energetics of DNA Kinking
J.Mol.Biol., 314, 2001
1O3R
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PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES
分子名称: 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
著者Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M.
登録日2003-03-18
公開日2003-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: DNA Binding Specificity Based on Energetics of DNA Kinking
J.Mol.Biol., 314, 2001
1O3T
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PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES
分子名称: 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*TP*CP*G)-3', 5'-D(*GP*CP*GP*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
著者Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M.
登録日2003-03-18
公開日2003-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: DNA Binding Specificity Based on Energetics of DNA Kinking
J.Mol.Biol., 314, 2001
2GVR
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Crystal structure of the berenil-D(CGCGAATTCGCG)2 complex at 1.65 A resolution.
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BERENIL, MAGNESIUM ION
著者Lee, M.P.H, Parkinson, G.N, Neidle, S.
登録日2006-05-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the berenil-D(CGCGAATTCGCG)2 complex at 1.65 A resolution.
To be Published
1LB2
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Structure of the E. coli alpha C-terminal domain of RNA polymerase in complex with CAP and DNA
分子名称: 5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*AP*G)-3', 5'-D(*CP*TP*TP*TP*TP*TP*TP*CP*CP*TP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
著者Benoff, B, Yang, H, Lawson, C.L, Parkinson, G, Liu, J, Blatter, E, Ebright, Y.W, Berman, H.M, Ebright, R.H.
登録日2002-04-01
公開日2002-09-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of transcription activation: the CAP-alpha CTD-DNA complex.
Science, 297, 2002
2K4L
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Solution structure of a 2:1C2-(2-naphthyl)pyrrolo[2,1-c][1,4]benzodiazepine (PBD) DNA adduct: molecular basis for unexpectedly high DNA helix stabilization.
分子名称: (11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DAP*DAP*DAP*DGP*DAP*DTP*DT)-3'
著者Antonow, D, Barata, T, Jenkins, T.C, Parkinson, G.N, Howard, P.W, Thurston, D.E, Zloh, M.
登録日2008-06-13
公開日2008-10-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of a 2:1 C2-(2-naphthyl) pyrrolo[2,1-c][1,4]benzodiazepine DNA adduct: molecular basis for unexpectedly high DNA helix stabilization.
Biochemistry, 47, 2008
1OOQ
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Nitroreductase from e-coli in complex with the inhibitor dicoumarol
分子名称: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
著者Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S.
登録日2003-03-04
公開日2003-04-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
2B3E
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BU of 2b3e by Molmil
Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE, MAGNESIUM ION
著者Campbell, N.H, Evans, D.A, Lee, M.P, Parkinson, G.N, Neidle, S.
登録日2005-09-20
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure.
Bioorg.Med.Chem.Lett., 16, 2006
3EM2
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A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6038
分子名称: 3,6-Bis[(3-morpholinopropionamido)] acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-09-23
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
2I08
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Solvation effect in conformational changes of EF-hand proteins: X-ray structure of Ca2+-saturated double mutant Q41L-K75I of N-domain of calmodulin
分子名称: CALCIUM ION, Calmodulin, GLYCEROL
著者Ababou, A, Parkinson, G.N, Desjarlais, J.R, Djordjevic, S.
登録日2006-08-10
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Solvation effect in conformational changes of EF-hand proteins: X-ray structure of double mutant Q41L-K75I of N-domain of calmodulin
To be Published
3EQW
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A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6042 in small unit cell
分子名称: 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-01
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
2B0K
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BU of 2b0k by Molmil
Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex.
分子名称: 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
著者Miao, Y, Lee, M.P, Parkinson, G.N, Batista-Parra, A, Ismail, M.A, Neidle, S, Boykin, D.W, Wilson, W.D.
登録日2005-09-14
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove.
Biochemistry, 44, 2005
3ET8
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A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6054
分子名称: 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-07
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3EUM
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A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6066
分子名称: 3,6-Bis[3-(azepan-1-yl)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-10
公開日2008-10-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3EUI
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A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6042 in a large unit cell
分子名称: 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine, 3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', ...
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-10
公開日2008-12-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ERU
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A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6045
分子名称: 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-03
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3CE5
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A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19
分子名称: 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine, DNA (5'-D(*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DT)-3'), POTASSIUM ION
著者Campbell, N.H, Parkinson, G.N, Reszka, A.P, Neidle, S.
登録日2008-02-28
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of DNA quadruplex recognition by an acridine drug.
J.Am.Chem.Soc., 130, 2008
1OON
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BU of 1oon by Molmil
Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN27217
分子名称: 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
著者Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S.
登録日2003-03-04
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
1OO6
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Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN23862
分子名称: 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
著者Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S.
登録日2003-03-03
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
1OO5
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Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of the Enzyme Active Form and Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs
分子名称: FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
著者Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S.
登録日2003-03-03
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
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