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1GU9
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BU of 1gu9 by Molmil
Crystal Structure of Mycobacterium tuberculosis Alkylperoxidase AhpD
Descriptor: ALKYLHYDROPEROXIDASE D
Authors:Nunn, C.M, Djordjevic, S, Hillas, P.J, Nishida, C, Ortiz de Montellano, P.R.
Deposit date:2002-01-24
Release date:2002-02-14
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of Mycobacterium Tuberculosis Alkylhydroperoxidase Ahpd, a Potential Target for Antitubercular Drug Design
J.Biol.Chem., 277, 2002
102D
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BU of 102d by Molmil
SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE
Descriptor: 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Nunn, C.M, Neidle, S.
Deposit date:1994-12-15
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence-dependent drug binding to the minor groove of DNA: crystal structure of the DNA dodecamer d(CGCAAATTTGCG)2 complexed with propamidine.
J.Med.Chem., 38, 1995
166D
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BU of 166d by Molmil
DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2
Descriptor: 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Nunn, C.M, Jenkins, T.C, Neidle, S.
Deposit date:1994-03-17
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition.
Eur.J.Biochem., 226, 1994
1PRP
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BU of 1prp by Molmil
CRYSTAL STRUCTURE OF D(CGCGAATTCGCG) COMPLEXED WITH PROPAMIDINE, A SHORT-CHAIN HOMOLOGUE OF THE DRUG PENTAMIDIN
Descriptor: 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Nunn, C.M, Jenkins, T.C, Neidle, S.
Deposit date:1993-07-23
Release date:1994-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of d(CGCGAATTCGCG) complexed with propamidine, a short-chain homologue of the drug pentamidine.
Biochemistry, 32, 1993
1Q31
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BU of 1q31 by Molmil
Crystal Structure of the Tobacco Etch Virus Protease C151A mutant
Descriptor: BETA-MERCAPTOETHANOL, Nuclear inclusion protein A
Authors:Nunn, C.M, Djordjevic, S, George, R.R, Urquhart, G.T, Chao, L.H, Tsuchiya, Y.
Deposit date:2003-07-28
Release date:2004-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of tobacco etch virus protease shows the protein C terminus bound within the active site.
J.Mol.Biol., 350, 2005
232D
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BU of 232d by Molmil
THE HIGH RESOLUTION CRYSTAL STRUCTURE OF THE DNA DECAMER D(AGGCATGCCT)
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*AP*GP*GP*CP*AP*TP*GP*CP*CP*T)-3')
Authors:Nunn, C.M, Neidle, S.
Deposit date:1995-09-05
Release date:1996-03-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The high resolution crystal structure of the DNA decamer d(AGGCATGCCT).
J.Mol.Biol., 256, 1996
1VTH
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BU of 1vth by Molmil
DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURES OF D(TGTACA) COMPLEXED WITH DAUNOMYCIN
Descriptor: DAUNOMYCIN, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3')
Authors:Nunn, C.M, Van Meervelt, L, Zhang, S, Moore, M.H, Kennard, O.
Deposit date:1992-03-01
Release date:2011-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:DNA-Drug Interactions: The Crystal Structures of d(TGTACA) and d(TGATCA) Complexed with Daunomycin
J.Mol.Biol., 222, 1991
1VTI
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DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURES OF D(TGATCA) COMPLEXED WITH DAUNOMYCIN
Descriptor: DAUNOMYCIN, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3')
Authors:Nunn, C.M, Van Meervelt, L, Zhang, S, Moore, M.H, Kennard, O.
Deposit date:1992-03-01
Release date:2011-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DNA-Drug Interactions: The Crystal Structures of d(TGTACA) and d(TGATCA) Complexed with Daunomycin
J.Mol.Biol., 222, 1991
238D
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CRYSTAL STRUCTURE OF THE DNA DECAMER D(AGG(BR)CATGCCT): COMPARISON WITH D(AGGCATGCCT) AND IMPLICATIONS FOR COBALT HEXAMMINE BINDING TO DNA
Descriptor: DNA (5'-D(*AP*GP*GP*(CBR)P*AP*TP*GP*CP*CP*T)-3')
Authors:Nunn, C.M.
Deposit date:1995-11-02
Release date:1996-01-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of d(AGGBrCATGCCT): implications for cobalt hexammine binding to DNA
J.Biomol.Struct.Dyn., 14, 1996
281D
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BU of 281d by Molmil
CRYSTAL STRUCTURE OF THE A-DNA OCTAMER D(GGCATGCC)
Descriptor: DNA (5'-D(*GP*GP*CP*AP*TP*GP*CP*C)-3')
Authors:Nunn, C.M, Neidle, S.
Deposit date:1996-08-23
Release date:1996-09-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of the A-DNA octamer d(GGCATGCC).
Acta Crystallogr.,Sect.D, 53, 1997
261D
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CRYSTAL STRUCTURE OF THE DNA DECAMER D(CGCAATTGCG) COMPLEXED WITH THE MINOR GROOVE BINDING DRUG NETROPSIN
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3'), NETROPSIN
Authors:Nunn, C.M, Garman, E, Neidle, S.
Deposit date:1996-11-08
Release date:1997-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the DNA decamer d(CGCAATTGCG) complexed with the minor groove binding drug netropsin.
Biochemistry, 36, 1997
335D
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BU of 335d by Molmil
THE CRYSTAL STRUCTURE OF THE DNA DECAMER D(GGCAATTGCG) CONTAINS BOTH MAJOR AND MINOR GROOVE BINDING G.(G.C) TRIPLETS
Descriptor: DNA (5'-D(*GP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Nunn, C.M, Neidle, S.
Deposit date:1997-06-05
Release date:1998-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the DNA decamer d(GGCAATTGCG) contains both major- and minor-groove binding G.(G.C) base triplets.
Acta Crystallogr.,Sect.D, 54, 1998
1LW1
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Crystal Structure Of Mycobacterium Tuberculosis Alkylperoxidase Ahpd H137F mutant
Descriptor: ALKYLHYDROPEROXIDASE D
Authors:Nunn, C.M, Djordjevic, S, Ortiz de Montellano, P.R.
Deposit date:2002-05-30
Release date:2002-07-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Mechanism of Mycobacterium tuberculosis Alkylhydroperoxidase AhpD as Defined by Mutagenesis, Crystallography, and Kinetics
J.Biol.Chem., 278, 2003
1ME5
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BU of 1me5 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Alkylperoxidase AhpD H132Q Mutant
Descriptor: ALKYLHYDROPEROXIDASE D
Authors:Nunn, C.M, Djordjevic, S, Ortiz de Montellano, P.R.
Deposit date:2002-08-08
Release date:2002-09-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The mechanism of Mycobacterium tuberculosis alkylhydroperoxidase AhpD as defined by mutagenesis, crystallography, and kinetics.
J.Biol.Chem., 278, 2003
109D
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VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2
Descriptor: 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Czarny, A, Boykin, D.W, Wood, A.A, Nunn, C.M, Neidle, S, Zhao, M, Wilson, W.D.
Deposit date:1995-02-15
Release date:1995-05-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2.
Nucleic Acids Res., 23, 1995
227D
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A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY
Descriptor: 2,5-BIS(4-GUANYLPHENYL)FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Laughton, C.A, Tanious, F, Nunn, C.M, Boykin, D.W, Wilson, W.D, Neidle, S.
Deposit date:1995-08-08
Release date:1995-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity.
Biochemistry, 35, 1996
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:2024-02-28
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: 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, 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:2023-12-27
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
252D
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CRYSTAL STRUCTURE OF THE B-DNA DECAMER D(CGCAATTGCG)2; SEQUENCE-DEPENDENT CROSSED HELIX PACKING
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3')
Authors:Wood, A.A, Nunn, C.M, Trent, J.O, Neidle, S.
Deposit date:1996-03-07
Release date:1996-04-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sequence-dependent crossed helix packing in the crystal structure of a B-DNA decamer yields a detailed model for the Holliday junction.
J.Mol.Biol., 269, 1997
237D
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CRYSTAL STRUCTURE OF A DNA DECAMER SHOWING A NOVEL PSEUDO FOUR-WAY HELIX-HELIX JUNCTION
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3')
Authors:Spink, N, Nunn, C.M, Vojtechovsky, J, Berman, H.M, Neidle, S.
Deposit date:1995-09-28
Release date:1996-03-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a DNA decamer showing a novel pseudo four-way helix-helix junction.
Proc.Natl.Acad.Sci.USA, 92, 1995
289D
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TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2
Descriptor: 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN, DNA (5'-R(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S.
Deposit date:1996-10-10
Release date:1996-12-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
J.Med.Chem., 39, 1996
298D
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TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2
Descriptor: 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S.
Deposit date:1996-10-10
Release date:1996-12-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
J.Med.Chem., 39, 1996

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