1LP7
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![BU of 1lp7 by Molmil](/molmil-images/mine/1lp7) | |
2Y1J
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![BU of 2y1j by Molmil](/molmil-images/mine/2y1j) | CRYSTAL STRUCTURE OF A R-DIASTEREOMER ANALOGUE OF THE SPORE PHOTOPRODUCT IN COMPLEX WITH FRAGMENT DNA POLYMERASE I FROM BACILLUS STEAROTHERMOPHILUS | 分子名称: | 5'-D(*AP*GP*GP*GP*QBTP*THM*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*AP*AP*CP*CP*CP*TP)-3', DNA POLYMERASE I, ... | 著者 | Heil, K, Schneider, S, Mueller, M, Kneuttinger, A.C, Carell, T. | 登録日 | 2010-12-08 | 公開日 | 2011-07-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal Structures and Repair Studies Reveal the Identity and the Base-Pairing Properties of the Uv-Induced Spore Photoproduct DNA Lesion. Chemistry, 17, 2011
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4B9N
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![BU of 4b9n by Molmil](/molmil-images/mine/4b9n) | Structure of the high fidelity DNA polymerase I correctly bypassing the oxidative formamidopyrimidine-dA DNA lesion. | 分子名称: | 5'-D(*CP*AP*AP*(FAX)*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*TP*TP*TP*TP)-3', DNA POLYMERASE, ... | 著者 | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | 登録日 | 2012-09-05 | 公開日 | 2013-04-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions. Nat.Chem.Biol., 9, 2013
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4B9L
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![BU of 4b9l by Molmil](/molmil-images/mine/4b9l) | Structure of the high fidelity DNA polymerase I with the oxidative formamidopyrimidine-dA DNA lesion in the pre-insertion site. | 分子名称: | 5'-D(*CP*AP*GP*FAX*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*TP)-3', DNA POLYMERASE I, ... | 著者 | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | 登録日 | 2012-09-05 | 公開日 | 2013-04-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions. Nat.Chem.Biol., 9, 2013
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1M6F
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![BU of 1m6f by Molmil](/molmil-images/mine/1m6f) | Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove | 分子名称: | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | 著者 | Nguyen, B, Lee, M.P.H, Hamelberg, D, Joubert, A, Bailly, C, Brun, R, Neidle, S, Wilson, W.D. | 登録日 | 2002-07-16 | 公開日 | 2002-11-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove J.Am.Chem.Soc., 124, 2002
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4B9V
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![BU of 4b9v by Molmil](/molmil-images/mine/4b9v) | Structure of the high fidelity DNA polymerase I with extending from an oxidative formamidopyrimidine-dG DNA lesion -dA basepair. | 分子名称: | 5'-D(*CP*AP*TP*FOXP*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*TP*AP*AP)-3', DNA POLYMERASE, ... | 著者 | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | 登録日 | 2012-09-06 | 公開日 | 2013-04-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions. Nat.Chem.Biol., 9, 2013
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4B9S
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![BU of 4b9s by Molmil](/molmil-images/mine/4b9s) | Structure of the high fidelity DNA polymerase I with an oxidative formamidopyrimidine-dG DNA lesion outside of the pre-insertion site. | 分子名称: | 5'-D(*AP*CP*CP*TP*GP*AP*CP*TP*CP*TP)-3', 5'-D(*CP*AP*TP*FOXP*AP*GP*AP*GP*TP*CP*AP*GP*GP*TP*TP)-3', DNA POLYMERASE, ... | 著者 | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | 登録日 | 2012-09-06 | 公開日 | 2013-04-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions. Nat.Chem.Biol., 9, 2013
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3EM2
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![BU of 3em2 by Molmil](/molmil-images/mine/3em2) | 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
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3EQW
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![BU of 3eqw by Molmil](/molmil-images/mine/3eqw) | 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
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303D
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![BU of 303d by Molmil](/molmil-images/mine/303d) | META-HYDROXY ANALOGUE OF HOECHST 33258 ('HYDROXYL OUT' CONFORMATION) BOUND TO D(CGCGAATTCGCG)2 | 分子名称: | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | 著者 | Clark, G.R, Squire, C.J, Gray, E.J, Leupin, W, Neidle, S. | 登録日 | 1996-06-26 | 公開日 | 1997-01-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Designer DNA-binding drugs: the crystal structure of a meta-hydroxy analogue of Hoechst 33258 bound to d(CGCGAATTCGCG)2. Nucleic Acids Res., 24, 1996
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360D
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![BU of 360d by Molmil](/molmil-images/mine/360d) | STRUCTURE OF 2,5-BIS{[4-(N-ETHYLAMIDINO)PHENYL]}FURAN COMPLEXED TO 5'-D(CPGPCPGPAPAPTPTPCPGPCPG)-3'. A MINOR GROOVE DRUG COMPLEX, SHOWING PATTERNS OF GROOVE HYDRATION | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium | 著者 | Guerri, A, Simpson, I.J, Neidle, S. | 登録日 | 1997-10-29 | 公開日 | 1998-07-16 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Visualisation of extensive water ribbons and networks in a DNA minor-groove drug complex. Nucleic Acids Res., 26, 1998
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3ET8
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![BU of 3et8 by Molmil](/molmil-images/mine/3et8) | 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
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311D
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![BU of 311d by Molmil](/molmil-images/mine/311d) | THE ROLE OF HYDROGEN BONDING IN MINOR-GROOVE DRUG-DNA RECOGNITION. STRUCTURE OF A BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 COMPLEXED TO THE DODECANUCLEOTIDE D(CGCGAATTCGCG)2 | 分子名称: | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | 著者 | Clark, G.R, Boykin, D.W, Czarny, A, Neidle, S. | 登録日 | 1997-02-04 | 公開日 | 1997-02-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of a bis-amidinium derivative of hoechst 33258 complexed to dodecanucleotide d(CGCGAATTCGCG)2: the role of hydrogen bonding in minor groove drug-DNA recognition. Nucleic Acids Res., 25, 1997
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302D
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![BU of 302d by Molmil](/molmil-images/mine/302d) | META-HYDROXY ANALOGUE OF HOECHST 33258 ('HYDROXYL IN' CONFORMATION) BOUND TO D(CGCGAATTCGCG)2 | 分子名称: | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | 著者 | Clark, G.R, Squire, C.J, Gray, E.J, Leupin, W, Neidle, S. | 登録日 | 1996-06-26 | 公開日 | 1997-01-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Designer DNA-binding drugs: the crystal structure of a meta-hydroxy analogue of Hoechst 33258 bound to d(CGCGAATTCGCG)2. Nucleic Acids Res., 24, 1996
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335D
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![BU of 335d by Molmil](/molmil-images/mine/335d) | |
2NLM
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![BU of 2nlm by Molmil](/molmil-images/mine/2nlm) | |
1OON
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![BU of 1oon by Molmil](/molmil-images/mine/1oon) | 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
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1OOQ
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![BU of 1ooq by Molmil](/molmil-images/mine/1ooq) | 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
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2O6P
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![BU of 2o6p by Molmil](/molmil-images/mine/2o6p) | Crystal Structure of the heme-IsdC complex | 分子名称: | CHLORIDE ION, Iron-regulated surface determinant protein C, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Sharp, K.H, Schneider, S, Cockayne, A, Paoli, M. | 登録日 | 2006-12-08 | 公開日 | 2007-02-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of the heme-IsdC complex, the central conduit of the Isd iron/heme uptake system in Staphylococcus aureus. J. Biol. Chem., 282, 2007
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3EUI
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![BU of 3eui by Molmil](/molmil-images/mine/3eui) | 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
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3ERU
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![BU of 3eru by Molmil](/molmil-images/mine/3eru) | 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
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3EUM
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![BU of 3eum by Molmil](/molmil-images/mine/3eum) | 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
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3ES0
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![BU of 3es0 by Molmil](/molmil-images/mine/3es0) | A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6048 | 分子名称: | 3,6-Bis[3-(4-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 (2.2 Å) | 主引用文献 | Selectivity in Ligand Recognition of G-Quadruplex Loops. Biochemistry, 48, 2009
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3CDM
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![BU of 3cdm by Molmil](/molmil-images/mine/3cdm) | Structural adaptation and conservation in quadruplex-drug recognition | 分子名称: | 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*DT*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DG)-3'), POTASSIUM ION | 著者 | Parkinson, G.N, Neidle, S. | 登録日 | 2008-02-27 | 公開日 | 2008-09-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Topology conservation and loop flexibility in quadruplex-drug recognition: crystal structures of inter- and intramolecular telomeric DNA quadruplex-drug complexes J.Mol.Biol., 381, 2008
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3CE5
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![BU of 3ce5 by Molmil](/molmil-images/mine/3ce5) | 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
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