8WU5
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![BU of 8wu5 by Molmil](/molmil-images/mine/8wu5) | The complex of CAG repeat sequence-specific binding cPIP and dsDNA with A-A mismatch | Descriptor: | (1^2Z,4^2Z,11^2Z,14^2Z,22^2Z,25^2Z,32^2Z,35^2Z,19R,40R)-1^1,4^1,11^1,14^1,22^1,25^1,32^1,35^1-octamethyl-2,5,9,12,15,20,23,26,30,33,36,41-dodecaoxo-1^1H,4^1H,11^1H,14^1H,22^1H,25^1H,32^1H,35^1H-3,6,10,13,16,21,24,27,31,34,37,42-dodecaaza-1(2,4),11,22,32(4,2)-tetraimidazola-4,14,25,35(4,2)-tetrapyrrolacyclodotetracontaphane-19,40-diaminium, DNA (5'-D(*GP*CP*(CBR)P*GP*AP*GP*CP*AP*GP*CP*AP*CP*GP*GP*C)-3') | Authors: | Abe, K, Takeda, K, Sugiyama, H. | Deposit date: | 2023-10-20 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Studies of a Complex of a CAG/CTG Repeat Sequence-Specific Binding Molecule and A-A-Mismatch-Containing DNA. Jacs Au, 4, 2024
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6M5B
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![BU of 6m5b by Molmil](/molmil-images/mine/6m5b) | X-ray crystal structure of cyclic-PIP and DNA complex in a reverse binding orientation | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{N}-[2-[[(3~{S})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide, DNA (5'-D(*CP*(CBR)P*AP*GP*GP*CP*CP*TP*GP*G)-3'), ... | Authors: | Abe, K, Hirose, Y, Eki, H, Takeda, K, Bando, T, Endo, M, Sugiyama, H. | Deposit date: | 2020-03-10 | Release date: | 2020-06-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | X-ray Crystal Structure of a Cyclic-PIP-DNA Complex in the Reverse-Binding Orientation. J.Am.Chem.Soc., 142, 2020
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1TNE
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![BU of 1tne by Molmil](/molmil-images/mine/1tne) | NMR STUDY OF Z-DNA AT PHYSIOLOGICAL SALT CONDITIONS, MINIMIZED AVERAGE STRUCTURE | Descriptor: | DNA (5'-D(*CP*GP*CP*(8MG)P*CP*G)-3') | Authors: | Robinson, H, Wang, A.H.-J, Sugiyama, H, Kawai, K, Matsunaga, A, Fujimoto, K, Saito, I. | Deposit date: | 1996-02-13 | Release date: | 1996-07-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Synthesis, structure and thermodynamic properties of 8-methylguanine-containing oligonucleotides: Z-DNA under physiological salt conditions. Nucleic Acids Res., 24, 1996
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1BE5
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![BU of 1be5 by Molmil](/molmil-images/mine/1be5) | STRUCTURAL STUDIES OF A STABLE PARALLEL-STRANDED DNA DUPLEX INCORPORATING ISOGUANINE:CYTOSINE AND ISOCYTOSINE:GUANINE BASE PAIRS BY NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | DNA DUPLEX (TGCACGGACT) | Authors: | Yang, X.-L, Sugiyama, H, Ikeda, S, Saito, I, Wang, A.H.-J. | Deposit date: | 1998-05-19 | Release date: | 1998-08-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural studies of a stable parallel-stranded DNA duplex incorporating isoguanine:cytosine and isocytosine:guanine basepairs by nuclear magnetic resonance spectroscopy. Biophys.J., 75, 1998
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1AO2
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![BU of 1ao2 by Molmil](/molmil-images/mine/1ao2) | cobalt(III)-deglycopepleomycin determined by NMR studies | Descriptor: | AGLYCON OF PEPLOMYCIN, COBALT (III) ION, HYDROGEN PEROXIDE | Authors: | Caceres-Cortes, J, Sugiyama, H, Ikudome, K, Saito, I, Wang, A.H.-J. | Deposit date: | 1997-07-16 | Release date: | 1999-07-30 | Last modified: | 2024-03-13 | Method: | SOLUTION NMR | Cite: | Structures of cobalt(III)-pepleomycin and cobalt(III)-deglycopepleomycin (green forms) determined by NMR studies. Eur.J.Biochem., 244, 1997
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1AO1
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![BU of 1ao1 by Molmil](/molmil-images/mine/1ao1) | INTERACTIONS OF DEGLYCOSYLATED COBALT(III)-PEPLEOMYCIN WITH DNA, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | COBALT (III)-DEGLYCOPEPLEOMYCIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Caceres-Cortes, J, Sugiyama, H, Ikudome, K, Saito, I, Wang, A.H.-J. | Deposit date: | 1997-07-16 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Interactions of deglycosylated cobalt(III)-pepleomycin (green form) with DNA based on NMR structural studies,. Biochemistry, 36, 1997
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1AO4
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![BU of 1ao4 by Molmil](/molmil-images/mine/1ao4) | COBALT(III)-PEPLOMYCIN COMPLEX DETERMINED BY NMR STUDIES | Descriptor: | 3-O-carbamoyl-alpha-D-mannopyranose-(1-2)-alpha-L-gulopyranose, AGLYCON OF PEPLOMYCIN, COBALT (III) ION, ... | Authors: | Caceres-Cortes, J, Sugiyama, H, Ikudome, K, Saito, I, Wang, A.H.-J. | Deposit date: | 1997-07-16 | Release date: | 1999-07-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structures of cobalt(III)-pepleomycin and cobalt(III)-deglycopepleomycin (green forms) determined by NMR studies. Eur.J.Biochem., 244, 1997
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1CYZ
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![BU of 1cyz by Molmil](/molmil-images/mine/1cyz) | NMR STRUCTURE OF THE GAACTGGTTC/TRI-IMIDAZOLE POLYAMIDE COMPLEX | Descriptor: | (2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1 H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM, 5'-D(*GP*AP*AP*CP*TP*GP*GP*TP*TP*C)-3' | Authors: | Yang, X.-L, Hubbard IV, R.B, Lee, M, Tao, Z.-F, Sugiyama, H, Wang, A.H.-J. | Deposit date: | 1999-08-31 | Release date: | 1999-09-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Imidazole-imidazole pair as a minor groove recognition motif for T:G mismatched base pairs Nucleic Acids Res., 27, 1999
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2E4I
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![BU of 2e4i by Molmil](/molmil-images/mine/2e4i) | Human Telomeric DNA mixed-parallel/antiparallel quadruplex under Physiological Ionic Conditions Stabilized by Proper Incorporation of 8-Bromoguanosines | Descriptor: | DNA (5'-D(*DAP*(BGM)P*DGP*DGP*DTP*DTP*DAP*(BGM)P*DGP*DGP*DTP*DTP*DAP*(BGM)P*(BGM)P*DGP*DTP*DTP*DAP*(BGM)P*DGP*DG)-3') | Authors: | Matsugami, A, Xu, Y, Noguchi, Y, Sugiyama, H, Katahira, M. | Deposit date: | 2006-12-11 | Release date: | 2007-12-11 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of a human telomeric DNA sequence stabilized by 8-bromoguanosine substitutions, as determined by NMR in a K+ solution Febs J., 274, 2007
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5AX3
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![BU of 5ax3 by Molmil](/molmil-images/mine/5ax3) | Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors. | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 1, allosteric and ATP-competitive inhibitor | Authors: | Kinoshita, T, Sugiyama, H, Mori, Y, Takahashi, N, Tomonaga, A. | Deposit date: | 2015-07-14 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.984 Å) | Cite: | Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay Bioorg.Med.Chem.Lett., 26, 2016
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