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458D
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DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG BY A NON-SELF-COMPLEMENTARY AT-RICH SEQUENCE
Descriptor: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')
Authors:Aymami, J., Nunn, C.M., Neidle, S.
Deposit date:1999-03-10
Release date:1999-06-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand.
Nucleic Acids Res., 27, 1999
459D
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DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG
Descriptor: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'), 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE
Authors:Aymami, J., Nunn, C.M., Neidle, S.
Deposit date:1999-03-10
Release date:1999-06-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand.
Nucleic Acids Res., 27, 1999
264D
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THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE A-TRACT DNA DODECAMER D(CGCAAATTTGCG) COMPLEXED WITH THE MINOR-GROOVE-BINDING DRUG HOECHST 33258
Descriptor:DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Vega, M.C., Garcia-Saez, I., Aymami, J., Eritja, R., Van Der Marel, G.A., Van Boom, J.H., Rich, A., Coll, M.
Deposit date:1994-09-22
Release date:1995-03-31
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Three-dimensional crystal structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor-groove-binding drug Hoechst 33258.
Eur.J.Biochem., 222, 1994
1K9G
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CRYSTAL STRUCTURE OF THE COMPLEX OF CRYPTOLEPINE-D(CCTAGG)2
Descriptor:5'-D(*CP*CP*TP*AP*GP*G)-3', 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE
Authors:Lisgarten, J.N., Coll, M., Portugal, J., Wright, C.W., Aymami, J.
Deposit date:2001-10-29
Release date:2001-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The antimalarial and cytotoxic drug cryptolepine intercalates into DNA at cytosine-cytosine sites.
Nat.Struct.Biol., 9, 2002
2D47
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MOLECULAR STRUCTURE OF A COMPLETE TURN OF A-DNA
Descriptor:DNA (5'-D(*CP*CP*CP*CP*CP*GP*CP*GP*GP*GP*GP*G)-3'), SPERMINE
Authors:Verdaguer, N., Aymami, J., Fernandez-Forner, D., Fita, I., Coll, M., Huynh-Dinh, T., Igolen, J., Subirana, J.A.
Deposit date:1991-10-02
Release date:1991-10-02
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular structure of a complete turn of A-DNA.
J.Mol.Biol., 221, 1991
121D
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MOLECULAR STRUCTURE OF THE A-TRACT DNA DODECAMER D(CGCAAATTTGCG) COMPLEXED WITH THE MINOR GROOVE BINDING DRUG NETROPSIN
Descriptor:DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), NETROPSIN
Authors:Tabernero, L., Verdaguer, N., Coll, M., Fita, I., Van Der Marel, G.A., Van Boom, J.H., Rich, A., Aymami, J.
Deposit date:1993-04-14
Release date:1994-01-15
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor groove binding drug netropsin.
Biochemistry, 32, 1993
1DNE
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MOLECULAR STRUCTURE OF THE NETROPSIN-D(CGCGATATCGCG) COMPLEX: DNA CONFORMATION IN AN ALTERNATING AT SEGMENT; CONFORMATION 2
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), NETROPSIN
Authors:Coll, M., Aymami, J., Van Der Marel, G.A., Van Boom, J.H., Rich, A., Wang, A.H.-J.
Deposit date:1988-09-14
Release date:1989-01-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular structure of the netropsin-d(CGCGATATCGCG) complex: DNA conformation in an alternating AT segment.
Biochemistry, 28, 1989
1DNF
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EFFECTS OF 5-FLUOROURACIL/GUANINE WOBBLE BASE PAIRS IN Z-DNA. MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGFG)
Descriptor:DNA (5'-D(*CP*GP*CP*GP*(UFP)P*G)-3'), MAGNESIUM ION
Authors:Coll, M., Saal, D., Frederick, C.A., Aymami, J., Rich, A., Wang, A.H.-J.
Deposit date:1988-12-12
Release date:1990-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Effects of 5-fluorouracil/guanine wobble base pairs in Z-DNA: molecular and crystal structure of d(CGCGFG).
Nucleic Acids Res., 17, 1989
1G3X
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INTERCALATION OF AN 9ACRIDINE-PEPTIDE DRUG IN A DNA DODECAMER
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', N(ALPHA)-(9-ACRIDINOYL)-TETRAARGININE-AMIDE, MAGNESIUM ION
Authors:Malinina, L., Soler-Lopez, M., Aymami, J., Subirana, J.A.
Deposit date:2000-10-25
Release date:2002-08-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Intercalation of an acridine-peptide drug in an AA/TT base step in the crystal structure of [d(CGCGAATTCGCG)](2) with six duplexes and seven Mg(2+) ions in the asymmetric unit.
Biochemistry, 41, 2002
1VTJ
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MOLECULAR STRUCTURE OF THE NETROPSIN-D(CGCGATATCGCG) COMPLEX: DNA CONFORMATION IN AN ALTERNATING AT SEGMENT; CONFORMATION 1
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), NETROPSIN
Authors:Coll, M., Aymami, J., Van Der Marel, G.A., Van Boom, J.H., Rich, A., Wang, A.H.-J.
Deposit date:1999-09-14
Release date:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Structure of the Netropsin-d(CGCGATATCGCG) Complex: DNA Conformation in an Alternating AT Segment
Biochemistry, 28, 1989
1Z3F
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STRUCTURE OF ELLIPTICINE IN COMPLEX WITH A 6-BP DNA
Descriptor:5'-D(*CP*GP*AP*TP*CP*G)-3', ELLIPTICINE, COBALT (II) ION
Authors:Canals, A., Purciolas, M., Aymami, J., Coll, M.
Deposit date:2005-03-12
Release date:2005-07-19
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The anticancer agent ellipticine unwinds DNA by intercalative binding in an orientation parallel to base pairs.
Acta Crystallogr.,Sect.D, 61, 2005
2ET0
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THE STRUCTURE OF A THREE-WAY DNA JUNCTION IN COMPLEX WITH A METALLO-SUPRAMOLECULAR HELICATE REVEALS A NEW TARGET FOR DRUGS
Descriptor:5'-D(*CP*GP*TP*AP*CP*G)-3', FE (II) ION, N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
Authors:Oleksi, A., Blanco, A.G., Boer, R., Uson, I., Aymami, J., Coll, M.
Deposit date:2005-10-27
Release date:2006-03-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Recognition of a Three-Way DNA Junction by a Metallosupramolecular Helicate
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
4MNB
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CRYSTAL STRUCTURE OF A COMPLEX BETWEEN THE MARINE ANTICANCER DRUG VARIOLIN B AND DNA
Descriptor:5'-D(*CP*GP*TP*AP*CP*G)-3', 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, COBALT HEXAMMINE(III), ...
Authors:Canals, A., Arribas-Bosacoma, R., Alvarez, M., Albericio, F., Aymami, J., Coll, M.
Deposit date:2013-09-10
Release date:2015-03-11
Last modified:2017-02-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Intercalative DNA binding of the marine anticancer drug variolin B.
Sci Rep, 7, 2017
1NDN
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MOLECULAR STRUCTURE OF NICKED DNA. MODEL T4
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*T)-3'), DNA (5'-D(*TP*TP*CP*GP*CP*G)-3')
Authors:Aymani, J., Coll, M., Van Der Marel, G.A., Van Boom, J.H., Wang, A.H.-J., Rich, A.
Deposit date:1992-01-15
Release date:1992-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular structure of nicked DNA: a substrate for DNA repair enzymes.
Proc.Natl.Acad.Sci.USA, 87, 1990
1VTE
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MOLECULAR STRUCTURE OF NICKED DNA. MODEL A4
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*T)-3'), DNA (5'-D(*TP*TP*CP*GP*CP*G)-3')
Authors:Aymani, J., Coll, M., Van Der Marel, G.A., Van Boom, J.H., Wang, A.H.-J., Rich, A.
Deposit date:1990-05-21
Release date:2011-07-13
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular structure of nicked DNA: a substrate for DNA repair enzymes.
Proc. Natl. Acad. Sci. U.S.A., 87, 1990
5K1I
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PDE4 CRYSTAL STRUCTURE IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid, ZINC ION, ...
Authors:Segarra, V., Hernandez, B., Ferrer-Miralles, N., Korndoerfer, I., Aymami, J.
Deposit date:2016-05-18
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 59, 2016
5K32
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PDE4D CRYSTAL STRUCTURE IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
Authors:Segarra, V., Hernandez, B., Roberts, R., Gracia, J., Soler, M., Bonin, I., Aymami, J.
Deposit date:2016-05-19
Release date:2017-03-29
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 61, 2018
467D
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THE STRUCTURE OF A DECAMER FORMING A FOUR-WAY JUNCTION
Descriptor:DNA (5'-D(*CP*CP*GP*GP*GP*AP*CP*CP*GP*G)-3')
Authors:Ortiz-Lombardia, M., Coll, M.
Deposit date:1999-04-22
Release date:2000-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of a DNA Holliday junction
Nat.Struct.Biol., 6, 1999
4X08
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STRUCTURE OF H128N/ECP MUTANT IN COMPLEX WITH SULPHATE ANIONS AT 1.34 ANGSTROMS.
Descriptor:Eosinophil cationic protein, SULFATE ION
Authors:Blanco, J.A., Garcia, J.M., Salazar, V.A., Sanchez, D., Moussauoi, M., Boix, E.
Deposit date:2014-11-21
Release date:2015-10-07
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
To Be Published
4OXF
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STRUCTURE OF ECP IN COMPLEX WITH CITRATE IONS AT 1.50 ANGSTROMS
Descriptor:Eosinophil cationic protein, CITRIC ACID, FE (III) ION
Authors:Blanco, J.A., Boix, E., Moussaoui, M., Salazar, V.A.
Deposit date:2014-02-05
Release date:2015-03-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of ECP in complex with citrate ions at 1.50 Angstroms
To be published
263D
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ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE
Authors:Clark, G.R., Gray, E.J., Neidle, S., Li, Y.-H., Leupin, W.
Deposit date:1996-09-27
Release date:1996-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex.
Biochemistry, 35, 1996
3FX8
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DISTINCT RECOGNITION OF THREE-WAY DNA JUNCTIONS BY A THIOESTER VARIANT OF A METALLO-SUPRAMOLECULAR CYLINDER ('HELICATE')
Descriptor:(5'-D(*CP*GP*TP*AP*CP*G)-3', FE (II) ION, 4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}
Authors:Boer, D.R., Uson, I., Coll, M.
Deposit date:2009-01-20
Release date:2010-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Self-Assembly of Functionalizable Two-Component 3D DNA Arrays through the Induced Formation of DNA Three-Way-Junction Branch Points by Supramolecular Cylinders.
Angew.Chem.Int.Ed.Engl., 49, 2010