Author results

144D
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MINOR GROOVE BINDING OF SN6999 TO AN ALKYLATED DNA: MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-SN6999 COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*(G36)P*AP*AP*TP*TP*CP*GP*CP*G)-3'), 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM
Authors:Gao, Y.-G., Sriram, M., Denny, W.A., Wang, A.H.-J.
Deposit date:1993-10-26
Release date:1995-05-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Minor groove binding of SN6999 to an alkylated DNA: molecular structure of d(CGC[e6G]AATTCGCG)-SN6999 complex.
Biochemistry, 32, 1993
328D
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STRUCTURE OF A D(CGCGAATTCGCG)2-SN7167 COMPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE
Authors:Squire, C.J., Clark, G.R., Denny, W.A.
Deposit date:1997-04-15
Release date:1997-04-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Minor groove binding of a bis-quaternary ammonium compound: the crystal structure of SN 7167 bound to d(CGCGAATTCGCG)2.
Nucleic Acids Res., 25, 1997
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
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
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
1EG6
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CRYSTAL STRUCTURE ANALYSIS OF D(CG(5-BRU)ACG) COMPLEXES TO A PHENAZINE
Descriptor:5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3', COBALT (III) ION, BROMIDE ION, ...
Authors:Cardin, C.J., Denny, W.A., Hobbs, J.R., Thorpe, J.H.
Deposit date:2000-02-14
Release date:2001-01-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Guanine specific binding at a DNA junction formed by d[CG(5-BrU)ACG](2) with a topoisomerase poison in the presence of Co(2+) ions.
Biochemistry, 39, 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
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
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
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
1OOQ
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NITROREDUCTASE FROM E-COLI IN COMPLEX WITH THE INHIBITOR DICOUMAROL
Descriptor:Oxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE, BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE]
Authors:Johansson, E., Parkinson, G.N., Denny, W.A., Neidle, S.
Deposit date:2003-03-04
Release date:2003-04-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
1OO5
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STUDIES ON THE NITROREDUCTASE PRODRUG-ACTIVATING SYSTEM. CRYSTAL STRUCTURES OF THE ENZYME ACTIVE FORM AND COMPLEXES WITH THE INHIBITOR DICOUMAROL AND DINITROBENZAMIDE PRODRUGS
Descriptor:Oxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE
Authors:Johansson, E., Parkinson, G.N., Denny, W.A., Neidle, S.
Deposit date:2003-03-03
Release date:2003-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
1OO6
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NITROREDUCTASE FROM E-COLI IN COMPLEX WITH THE DINITROBENZAMIDE PRODRUG SN23862
Descriptor:Oxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE, 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE
Authors:Johansson, E., Parkinson, G.N., Denny, W.A., Neidle, S.
Deposit date:2003-03-03
Release date:2003-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
1OON
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NITROREDUCTASE FROM E-COLI IN COMPLEX WITH THE DINITROBENZAMIDE PRODRUG SN27217
Descriptor:Oxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE, 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE
Authors:Johansson, E., Parkinson, G.N., Denny, W.A., Neidle, S.
Deposit date:2003-03-04
Release date:2003-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
1IDT
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STRUCTURAL STUDIES ON A PRODRUG-ACTIVATING SYSTEM-CB1954 AND FMN-DEPENDENT NITROREDUCTASE
Descriptor:MINOR FMN-DEPENDENT NITROREDUCTASE, FLAVIN MONONUCLEOTIDE, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE
Authors:Johansson, E., Parkinson, G.N., Denny, W.A., Neidle, S.
Deposit date:2001-04-05
Release date:2003-09-16
Last modified:2018-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
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
2GJB
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CROSSLINKING OF DNA DUPLEXES: X-RAY CRYSTAL STRUCTURE OF AN UNSUBSTITUTED BISACRIDINE WITH THE OLIGONUCLEOTIDE D(CGTACG)
Descriptor:5'-D(*CP*GP*TP*AP*CP*GP*)-3', POTASSIUM ION, N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
Authors:Gan, Y., Cardin, C.J., Denny, W.A.
Deposit date:2006-03-30
Release date:2007-04-10
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crosslinking of DNA duplexes: X-ray crystal structure of an unsubstituted bisacridine with oligonucleotide d(CGTACG)
To be Published
2IN6
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WEE1 KINASE COMPLEX WITH INHIBITOR PD311839
Descriptor:Wee1-like protein kinase, 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2006-10-05
Release date:2007-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
2IO6
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WEE1 KINASE COMPLEXED WITH INHIBITOR PD330961
Descriptor:Wee1-like protein kinase, 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2006-10-10
Release date:2007-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
2P55
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A COMPLEX WITH LIGAND AND MGATP
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE, ...
Authors:Ohren, J.F., Pavlovsky, A.G.
Deposit date:2007-03-14
Release date:2007-10-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.
J.Med.Chem., 50, 2007
3BI6
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WEE1 KINASE COMPLEX WITH INHIBITOR PD352396
Descriptor:Wee1-like protein kinase, CHLORIDE ION, 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2007-11-29
Release date:2007-12-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
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