Author results

367D
  • Download 367d
  • View 367d
Molmil generated image of 367d
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
6AP8
  • Download 6ap8
  • View 6ap8
Molmil generated image of 6ap8
CRYSTAL STRUCTURE OF RICE D14 BOUND TO 2-(2-METHYL-3-NITROANILINO)BENZOIC ACID
Descriptor:Strigolactone esterase D14, 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid, GLYCEROL
Authors:Hamiaux, C.
Deposit date:2017-08-17
Release date:2018-03-21
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Inhibition of strigolactone receptors byN-phenylanthranilic acid derivatives: Structural and functional insights.
J. Biol. Chem., 293, 2018
366D
  • Download 366d
  • View 366d
Molmil generated image of 366d
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
6AP7
  • Download 6ap7
  • View 6ap7
Molmil generated image of 6ap7
CRYSTAL STRUCTURE OF DAD2 IN COMPLEX WITH 2-(2-METHYL-3-NITROANILINO)BENZOIC ACID
Descriptor:Probable strigolactone esterase DAD2, 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid, GLYCEROL
Authors:Hamiaux, C.
Deposit date:2017-08-17
Release date:2018-03-21
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Inhibition of strigolactone receptors byN-phenylanthranilic acid derivatives: Structural and functional insights.
J. Biol. Chem., 293, 2018
1DL8
  • Download 1dl8
  • View 1dl8
Molmil generated image of 1dl8
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
1RQY
  • Download 1rqy
  • View 1rqy
Molmil generated image of 1rqy
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
1FN1
  • Download 1fn1
  • View 1fn1
Molmil generated image of 1fn1
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
  • Download 1fn2
  • View 1fn2
Molmil generated image of 1fn2
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
1ZPI
  • Download 1zpi
  • View 1zpi
Molmil generated image of 1zpi
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
452D
  • Download 452d
  • View 452d
Molmil generated image of 452d
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
465D
  • Download 465d
  • View 465d
Molmil generated image of 465d
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
6O5J
  • Download 6o5j
  • View 6o5j
Molmil generated image of 6o5j
CRYSTAL STRUCTURE OF DAD2 BOUND TO QUINAZOLINONE DERIVATIVE
Descriptor:Probable strigolactone esterase DAD2, 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione, GLYCEROL, ...
Authors:Hamiaux, C.
Deposit date:2019-03-03
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Chemical synthesis and characterization of a new quinazolinedione competitive antagonist for strigolactone receptors with an unexpected binding mode.
Biochem.J., 2019
6AP6
  • Download 6ap6
  • View 6ap6
Molmil generated image of 6ap6
CRYSTAL STRUCTURE OF DAD2 IN COMPLEX WITH TOLFENAMIC ACID
Descriptor:Probable strigolactone esterase DAD2, 2-[(3-chloro-2-methylphenyl)amino]benzoic acid
Authors:Hamiaux, C.
Deposit date:2017-08-17
Release date:2018-03-21
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition of strigolactone receptors byN-phenylanthranilic acid derivatives: Structural and functional insights.
J. Biol. Chem., 293, 2018
4GIU
  • Download 4giu
  • View 4giu
Molmil generated image of 4giu
BIANTHRANILATE-LIKE ANALOGUE BOUND IN INNER SITE OF ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE (ANPRT; TRPD).
Descriptor:Anthranilate phosphoribosyltransferase, ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID, MAGNESIUM ION, ...
Authors:Evans, G.L., Baker, E.N., Lott, J.S., TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-08-09
Release date:2013-08-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.667 Å)
Cite:Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014
4GKM
  • Download 4gkm
  • View 4gkm
Molmil generated image of 4gkm
BIANTHRANILATE-LIKE ANALOGUE BOUND IN THE OUTER SITE OF ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE (ANPRT; TRPD)
Descriptor:Anthranilate phosphoribosyltransferase, ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID, MAGNESIUM ION, ...
Authors:Evans, G.L., Baker, E.N., Lott, J.S., TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-08-13
Release date:2013-08-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.6683 Å)
Cite:Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014
4IJ1
  • Download 4ij1
  • View 4ij1
Molmil generated image of 4ij1
BIANTHRANILATE-LIKE ANALOGUE BOUND TO ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE (ANPRT; TRPD) IN ABSENCE OF SUBSTRATES.
Descriptor:Anthranilate phosphoribosyltransferase, 2,2'-iminodibenzoic acid, GLYCEROL, ...
Authors:Evans, G.L., Baker, E.N., Lott, J.S., TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-12-20
Release date:2013-12-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014
1KCI
  • Download 1kci
  • View 1kci
Molmil generated image of 1kci
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
1ZPH
  • Download 1zph
  • View 1zph
Molmil generated image of 1zph
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
2IN6
  • Download 2in6
  • View 2in6
Molmil generated image of 2in6
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
4M0R
  • Download 4m0r
  • View 4m0r
Molmil generated image of 4m0r
TRIANTHRANILATE-LIKE ANALOGUE BOUND TO ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE (ANPRT; TRPD).
Descriptor:Anthranilate phosphoribosyltransferase, 2,6-bis[(2-carboxyphenyl)amino]benzoic acid, GLYCEROL, ...
Authors:Evans, G.L., Baker, E.N., Lott, J.S., TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-08-02
Release date:2014-05-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014
4H7C
  • Download 4h7c
  • View 4h7c
Molmil generated image of 4h7c
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEX WITH 1-{4-[(2-METHYL-1-PIPERIDINYL)SULFONYL]PHENYL}-2-PYRROLIDINONE
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one
Authors:Turnbull, A.P., Heinrich, D., Jamieson, S.M.F., Flanagan, J.U., Silva, S., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Denny, W.A.
Deposit date:2012-09-20
Release date:2013-03-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.
Eur.J.Med.Chem., 62C, 2013
1EG6
  • Download 1eg6
  • View 1eg6
Molmil generated image of 1eg6
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
1IDT
  • Download 1idt
  • View 1idt
Molmil generated image of 1idt
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
1OO6
  • Download 1oo6
  • View 1oo6
Molmil generated image of 1oo6
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
1OOQ
  • Download 1ooq
  • View 1ooq
Molmil generated image of 1ooq
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
<12>