Author results

1DL8
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CRYSTAL STRUCTURE OF 5-F-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CGTACG)2
Descriptor:DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), 5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE
Authors:Adams, A., Guss, J.M., Collyer, C.A., Denny, W.A., Wakelin, L.P.
Deposit date:1999-12-08
Release date:2000-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Acridinecarboxamide topoisomerase poisons: structural and kinetic studies of the DNA complexes of 5-substituted 9-amino-(N-(2-dimethylamino)ethyl)acridine-4-carboxamides.
Mol.Pharmacol., 58, 2000
1FN1
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CRYSTAL STRUCTURE OF 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CG(5BR)UACG)2
Descriptor:DNA (5'-D(P*GP*(BRO)UP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3'), COBALT (II) ION, ...
Authors:Adams, A., Guss, J.M., Collyer, C.A., Denny, W.A., Wakelin, L.P.G.
Deposit date:2000-08-19
Release date:2000-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A novel form of intercalation involving four DNA duplexes in an acridine-4-carboxamide complex of d(CGTACG)(2).
Nucleic Acids Res., 28, 2000
1FN2
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9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CGTACG)2
Descriptor:DNA (5'-D(P*GP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), COBALT (II) ION, ...
Authors:Adams, A., Guss, J.M., Collyer, C.A., Denny, W.A., Wakelin, L.P.G.
Deposit date:2000-08-19
Release date:2000-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A novel form of intercalation involving four DNA duplexes in an acridine-4-carboxamide complex of d(CGTACG)(2).
Nucleic Acids Res., 28, 2000
1KCI
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CRYSTAL STRUCTURE OF 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4-ACRIDINECARBOXAMIDE BOUND TO D(CGTACG)2
Descriptor:5'-D(*CP*GP*TP*AP*CP*G)-3', 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4-ACRIDINECARBOXAMIDE
Authors:Adams, A., Guss, J.M., Denny, W.A., Wakelin, L.P.G.
Deposit date:2001-11-08
Release date:2002-02-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of 9-amino-N-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide bound to d(CGTACG)2: implications for structure-activity relationships of acridinecarboxamide topoisomerase poisons.
Nucleic Acids Res., 30, 2002
1RQY
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9-AMINO-[N-(2-DIMETHYLAMINO)PROPLY]-ACRIDINE-4-CARBOXAMIDE BOUND TO D(CGTACG)2
Descriptor:5'-D(CP*GP*TP*AP*CP*G)-3', COBALT (II) ION, 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE, ...
Authors:Adams, A., Guss, J.M., Denny, W.A., Wakelin, L.P.
Deposit date:2003-12-07
Release date:2004-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of 9-amino-[N-(2-dimethylamino)propyl]acridine-4-carboxamide bound to d(CGTACG)(2): a comparison of structures of d(CGTACG)(2) complexed with intercalatorsin the presence of cobalt.
Acta Crystallogr.,Sect.D, 60, 2004
1ZPH
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CRYSTAL STRUCTURE ANALYSIS OF THE MINOR GROOVE BINDING QUINOLINIUM QUATERNARY SALT SN 8315 COMPLEXED WITH CGCGAATTCGCG
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
Authors:Adams, A., Leong, C., Denny, W.A., Guss, J.M.
Deposit date:2005-05-16
Release date:2005-10-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution.
Acta Crystallogr.,Sect.D, 61, 2005
1ZPI
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CRYSTAL STRUCTURE ANALYSIS OF THE MINOR GROOVE BINDING QUINOLINIUM QUATERNARY SALT SN 8224 COMPLEXED WITH CGCGAATTCGCG
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
Authors:Adams, A., Leong, C., Denny, W.A., Guss, J.M.
Deposit date:2005-05-16
Release date:2005-10-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution.
Acta Crystallogr.,Sect.D, 61, 2005
465D
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STRUCTURE OF THE TOPOISOMERASE II POISON BOUND TO DNA
Descriptor:DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE
Authors:Adams, A., Guss, J.M., Collyer, C.A., Denny, W.A., Wakelin, L.P.
Deposit date:1999-04-14
Release date:1999-08-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the topoisomerase II poison 9-amino-[N-(2-dimethylamino)ethyl]acridine-4-carboxamide bound to the DNA hexanucleotide d(CGTACG)2.
Biochemistry, 38, 1999
344D
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DETERMINATION BY MAD-DM OF THE STRUCTURE OF THE DNA DUPLEX D(ACGTACG(5-BRU))2 AT 1.46A AND 100K
Descriptor:DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*(BRU))-3')
Authors:Todd, A.R., Adams, A., Powell, H.R., Cardin, C.J.
Deposit date:1997-08-04
Release date:1997-09-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Determination by MAD-DM of the structure of the DNA duplex d[ACGTACG(5-BrU)]2 at 1.46 A and 100 K.
Acta Crystallogr.,Sect.D, 55, 1999
1K2L
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STRUCTURAL CHARACTERIZATION OF BISINTERCALATION IN HIGHER-ORDER DNA AT A JUNCTION-LIKE QUADRUPLEX
Descriptor:5'-D(*CP*GP*TP*AP*CP*G)-3', COBALT (II) ION, BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE
Authors:Teixeira, S.C.M., Thorpe, J.H., Todd, A.K., Powell, H.R., Adams, A., Wakelin, L.P.G., Denny, W.A., Cardin, C.J.
Deposit date:2001-09-28
Release date:2002-10-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Characterisation of Bisintercalation in Higher-order DNA at a Junction-like Quadruplex
J.MOL.BIOL., 323, 2002
243D
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STRUCTURE OF THE DNA OCTANUCLEOTIDE D(ACGTACGT)2
Descriptor:DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*T)-3')
Authors:Wilcock, D.J., Adams, A., Cardin, C.J., Wakelin, L.P.G.
Deposit date:1996-01-10
Release date:1996-02-26
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the DNA octanucleotide d(ACGTACGT)2.
Acta Crystallogr.,Sect.D, 52, 1996
366D
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1.3 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/6-BROMO-9-AMINO-DACA COMPLEX
Descriptor:DNA (5'-D(*CP*GP*(BRU)P*AP*CP*G)-3'), 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE
Authors:Todd, A.K., Adams, A., Thorpe, J.H., Denny, W.A., Cardin, C.J.
Deposit date:1997-12-19
Release date:1999-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethylamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5-BrU)ACG)2 at 1.3-A resolution.
J.Med.Chem., 42, 1999
367D
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1.2 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/5-BROMO-9-AMINO-DACA COMPLEX
Descriptor:5'-D(*CP*GP*(BRU)P*AP*CP*G)-3', 5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE, BROMIDE ION
Authors:Todd, A.K., Adams, A., Thorpe, J.H., Denny, W.A., Cardin, C.J.
Deposit date:1997-12-19
Release date:2003-03-04
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethlyamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5Br-U)ACG)2 at 1.3-angstrom resolution
J.Med.Chem., 42, 1999
2V7I
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PRNB NATIVE
Descriptor:PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Naismith, J.H.
Deposit date:2007-07-30
Release date:2007-08-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
2V7J
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PRNB L-TRYPTOPHAN COMPLEX
Descriptor:PRNB, TRYPTOPHAN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Naismith, J.H.
Deposit date:2007-07-30
Release date:2007-08-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
2V7K
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PRNB D-TRYPTOPHAN COMPLEX
Descriptor:PRNB, PROTOPORPHYRIN IX CONTAINING FE, D-TRYPTOPHAN, ...
Authors:Naismith, J.H.
Deposit date:2007-07-30
Release date:2007-08-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
2V7L
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PRNB 7CL-L-TRYPTOPHAN COMPLEX
Descriptor:PRNB, PROTOPORPHYRIN IX CONTAINING FE, 7-CHLOROTRYPTOPHAN
Authors:Naismith, J.H.
Deposit date:2007-07-30
Release date:2007-08-07
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily.
Biochemistry, 46, 2007
2V7M
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PRNB 7-CL-D-TRYPTOPHAN COMPLEX
Descriptor:PRNB, PROTOPORPHYRIN IX CONTAINING FE, 7-CL-D-TRYPTOPHAN, ...
Authors:Naismith, J.H.
Deposit date:2007-07-30
Release date:2007-08-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
452D
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ACRIDINE BINDING TO DNA
Descriptor:DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Thorpe, J.H., Todd, A.K., Cardin, C.J.
Deposit date:1999-02-18
Release date:2003-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethlyamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5Br-U)ACG)2 at 1.3-angstrom resolution
J.Med.Chem., 42, 1999
5A86
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STRUCTURE OF PREGNANE X RECEPTOR IN COMPLEX WITH A SPHINGOSINE 1- PHOSPHATE RECEPTOR 1 ANTAGONIST
Descriptor:NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 2, NUCLEAR RECEPTOR COACTIVATOR 1, 4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
Authors:Xue, Y., Oster, L.
Deposit date:2015-07-13
Release date:2015-10-21
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity.
J.Med.Chem., 58, 2015
6FS0
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INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH AZD5991
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6FS1
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MCL1 IN COMPLEX WITH AN INDOLE ACID LIGAND
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, 1,2-ETHANEDIOL
Authors:Kasmirski, S., Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6FS2
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MCL1 IN COMPLEX WITH INDOLE ACID LIGAND
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid
Authors:Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018