3LWL
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![BU of 3lwl by Molmil](/molmil-images/mine/3lwl) | Structure of Klenow fragment of Taq polymerase in complex with an abasic site | 分子名称: | 2',3'-dideoxyadenosine triphosphate, ACETATE ION, DNA (5'-D(*AP*AP*AP*(3DR)P*TP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | 著者 | Marx, A, Diederichs, K, Obeid, S. | 登録日 | 2010-02-24 | 公開日 | 2010-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Replication through an abasic DNA lesion: structural basis for adenine selectivity Embo J., 29, 2010
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232D
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1N46
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![BU of 1n46 by Molmil](/molmil-images/mine/1n46) | CRYSTAL STRUCTURE OF HUMAN TR BETA LIGAND-BINDING DOMAIN COMPLEXED WITH A POTENT SUBTYPE-SELECTIVE THYROMIMETIC | 分子名称: | Thyroid hormone receptor Beta-1, [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL | 著者 | Dow, R.L, Schneider, S.R, Paight, E.S, Hank, R.F, Chiang, P, Cornelius, P, Lee, E, Newsome, W.P, Swick, A.G, Spitzer, J, Hargrove, D.M, Patterson, T.A, Pandit, J, Chrunyk, B.A, LeMotte, P.K, Danley, D.E, Rosner, M.H, Ammirati, M.J, Simons, S.P, Schulte, G.K, Tate, B.F, DaSilva-Jardine, P. | 登録日 | 2002-10-30 | 公開日 | 2003-04-22 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a Novel Series of 6-Azauracil-Based Thyroid Hormone Receptor Ligands:
Potent, TRbeta Subtype-Selective Thyromimetics Bioorg.Med.Chem.Lett., 13, 2003
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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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1L1H
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1QBG
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![BU of 1qbg by Molmil](/molmil-images/mine/1qbg) | CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | 著者 | Skelly, J.V, Sanderson, M.R, Suter, D.A, Baumann, U, Gregory, D.S, Bennett, M, Hobbs, S.M, Neidle, S. | 登録日 | 1999-04-20 | 公開日 | 2000-04-24 | 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 human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954). J.Med.Chem., 42, 1999
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2XY6
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![BU of 2xy6 by Molmil](/molmil-images/mine/2xy6) | Crystal structure of a salicylic aldehyde basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', ... | 著者 | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | 登録日 | 2010-11-15 | 公開日 | 2011-07-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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2B3E
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![BU of 2b3e by Molmil](/molmil-images/mine/2b3e) | 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
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4C5J
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![BU of 4c5j by Molmil](/molmil-images/mine/4c5j) | Structure of the pyridoxal kinase from Staphylococcus aureus | 分子名称: | PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION | 著者 | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | 登録日 | 2013-09-12 | 公開日 | 2014-03-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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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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4C5K
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![BU of 4c5k by Molmil](/molmil-images/mine/4c5k) | Structure of the pyridoxal kinase from Staphylococcus aureus in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION | 著者 | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | 登録日 | 2013-09-12 | 公開日 | 2014-03-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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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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1KF1
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![BU of 1kf1 by Molmil](/molmil-images/mine/1kf1) | |
2WB2
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![BU of 2wb2 by Molmil](/molmil-images/mine/2wb2) | Drosophila Melanogaster (6-4) Photolyase Bound To double stranded Dna containing a T(6-4)C Photolesion | 分子名称: | 5'-D(*AP*CP*AP*GP*CP*GP*GP*64PP*ZP*GP*CP*AP *GP*GP*T)-3', 5'-D(*TP*AP*CP*CP*TP*GP*CP*GP*AP*CP*CP*GP*CP*TP*G)-3', FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Glas, A.F, Schneider, S, Maul, M.J, Hennecke, U, Carell, T. | 登録日 | 2009-02-20 | 公開日 | 2009-03-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Crystal Structure of the T(6-4)C Lesion in Complex with a (6-4) DNA Photolyase and Repair of Uv- Induced (6-4) and Dewar Photolesions. Chemistry, 15, 2009
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4C5N
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![BU of 4c5n by Molmil](/molmil-images/mine/4c5n) | Structure of the pyridoxal kinase from Staphylococcus aureus in complex with AMP-PCP and pyridoxal | 分子名称: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | 登録日 | 2013-09-12 | 公開日 | 2014-03-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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1K8P
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![BU of 1k8p by Molmil](/molmil-images/mine/1k8p) | |
1CN4
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459D
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![BU of 459d by Molmil](/molmil-images/mine/459d) | DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG | 分子名称: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*(CBR)P*AP*TP*AP*TP*TP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*AP*TP*GP*CP*G)-3') | 著者 | Aymami, J, Nunn, C.M, Neidle, S. | 登録日 | 1999-03-10 | 公開日 | 1999-06-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand. Nucleic Acids Res., 27, 1999
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2XY7
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![BU of 2xy7 by Molmil](/molmil-images/mine/2xy7) | Crystal structure of a salicylic aldehyde base in the pre-insertion site of fragment DNA polymerase I from Bacillus stearothermophilus | 分子名称: | 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*GP)-3', 5'-D(*SAYP*CP*GP*AP*GP*TP*CP*AP*GP*GP*CP)-3', DNA POLYMERASE I, ... | 著者 | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | 登録日 | 2010-11-15 | 公開日 | 2011-07-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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2KQH
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![BU of 2kqh by Molmil](/molmil-images/mine/2kqh) | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics | 分子名称: | 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*GP*CP*GP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3', POTASSIUM ION | 著者 | Hsu, S.-T.D, Varnai, P, Bugaut, A, Reszka, A.P, Neidle, S, Balasubramanian, S. | 登録日 | 2009-11-05 | 公開日 | 2009-11-24 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics J.Am.Chem.Soc., 131, 2009
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4A02
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![BU of 4a02 by Molmil](/molmil-images/mine/4a02) | X-ray crystallographic structure of EfCBM33A | 分子名称: | CHITIN BINDING PROTEIN | 著者 | Vaaje-Kolstad, G, Bohle, L.A, Gaseidnes, S, Dalhus, B, Bjoras, M, Mathiesen, G, Eijsink, V.G.H. | 登録日 | 2011-09-07 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Characterization of the Chitinolytic Machinery of Enterococcus Faecalis V583 and High Resolution Structure of its Oxidative Cbm33 Enzyme J.Mol.Biol., 416, 2012
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2KQG
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![BU of 2kqg by Molmil](/molmil-images/mine/2kqg) | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics | 分子名称: | 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*AP*CP*GP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3', POTASSIUM ION | 著者 | Hsu, S.-T.D, Varnai, P, Bugaut, A, Reszka, A.P, Neidle, S, Balasubramanian, S. | 登録日 | 2009-11-05 | 公開日 | 2009-11-24 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics J.Am.Chem.Soc., 131, 2009
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2XY5
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![BU of 2xy5 by Molmil](/molmil-images/mine/2xy5) | Crystal structure of an artificial salen-copper basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*SAYP*TP*CP*CP*CP*TP)-3', ... | 著者 | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | 登録日 | 2010-11-15 | 公開日 | 2011-07-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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3PO5
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![BU of 3po5 by Molmil](/molmil-images/mine/3po5) | Structure of a mutant of the large fragment of DNA polymerase I from Thermus Auqaticus in complex with an abasic site and ddATP | 分子名称: | 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(2DA))-3'), DNA (5'-D(P*(3DR)P*TP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | 著者 | Marx, A, Diederichs, K, Obeid, S. | 登録日 | 2010-11-22 | 公開日 | 2011-06-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Learning from Directed Evolution: Thermus aquaticus DNA Polymerase Mutants with Translesion Synthesis Activity. Chembiochem, 12, 2011
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2GWQ
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![BU of 2gwq by Molmil](/molmil-images/mine/2gwq) | |