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227D
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BU of 227d by Molmil
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
1VJ3
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BU of 1vj3 by Molmil
STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE.
Descriptor: ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G.
Deposit date:2004-01-13
Release date:2004-01-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate.
Biochemistry, 39, 2000
1YP7
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BU of 1yp7 by Molmil
Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water
Descriptor: CADMIUM ION, MAJOR URINARY PROTEIN 1
Authors:Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W.
Deposit date:2005-01-30
Release date:2005-08-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water
J.Am.Chem.Soc., 127, 2005
1YP6
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BU of 1yp6 by Molmil
Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water
Descriptor: 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, CHLORIDE ION, ...
Authors:Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W.
Deposit date:2005-01-30
Release date:2005-08-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water
J.Am.Chem.Soc., 127, 2005
1ZNG
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BU of 1zng by Molmil
Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex
Descriptor: CADMIUM ION, HEPTAN-1-OL, Major Urinary Protein
Authors:Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W.
Deposit date:2005-05-11
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
1ZNH
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BU of 1znh by Molmil
Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex
Descriptor: CADMIUM ION, Major Urinary Protein, OCTAN-1-OL
Authors:Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W.
Deposit date:2005-05-11
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
1ZND
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BU of 1znd by Molmil
Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex
Descriptor: CADMIUM ION, Major Urinary Protein, PENTAN-1-OL
Authors:Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W.
Deposit date:2005-05-11
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
1ZNK
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BU of 1znk by Molmil
Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex
Descriptor: CADMIUM ION, Major Urinary Protein, NONAN-1-OL
Authors:Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W.
Deposit date:2005-05-11
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
1ZNE
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BU of 1zne by Molmil
Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex
Descriptor: CADMIUM ION, HEXAN-1-OL, Major Urinary Protein
Authors:Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W.
Deposit date:2005-05-11
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
1ZNL
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Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex
Descriptor: CADMIUM ION, DECAN-1-OL, Major Urinary Protein
Authors:Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W.
Deposit date:2005-05-11
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
3NOF
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BU of 3nof by Molmil
Mycobacterium tuberculosis thioredoxin C C40S mutant
Descriptor: THIOCYANATE ION, Thioredoxin TrxC
Authors:Hall, G, Emsley, J.
Deposit date:2010-06-25
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464
Protein Sci., 20, 2011
3O6T
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BU of 3o6t by Molmil
Mycobacterium tuberculosis thioredoxin C C40S mutant in Complex with Quinol Inhibitor PMX464
Descriptor: 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one, TRIETHYLENE GLYCOL, Thioredoxin
Authors:Hall, G, Emsley, J.
Deposit date:2010-07-29
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464
Protein Sci., 20, 2011
3SAY
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BU of 3say by Molmil
Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142
Descriptor: (3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide, (4S)-2-METHYL-2,4-PENTANEDIOL, FORMIC ACID, ...
Authors:Mazanetz, M.P, Cheng, R.K.Y, Rowan, F, Laughton, C.A, Barker, J.J, Fischer, P.M.
Deposit date:2011-06-03
Release date:2012-06-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.231 Å)
Cite:Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142
To be Published
1KLK
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BU of 1klk by Molmil
CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Rosowsky, A, Queener, S.F.
Deposit date:2001-12-12
Release date:2002-12-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based enzyme inhibitor design: modeling studies and crystal structure analysis of Pneumocystis carinii dihydrofolate reductase ternary complex with PT653 and NADPH.
Acta Crystallogr.,Sect.D, 58, 2002
289D
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BU of 289d by Molmil
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:2024-02-14
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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BU of 298d by Molmil
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:2024-02-14
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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