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2DBE
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CRYSTAL STRUCTURE OF A BERENIL-DODECANUCLEOTIDE COMPLEX: THE ROLE OF WATER IN SEQUENCE-SPECIFIC LIGAND BINDING
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), BERENIL
Authors:Brown, D.G., Sanderson, M.R., Skelly, J.V., Jenkins, T.C., Brown, T., Garman, E., Stuart, D.I., Neidle, S.
Deposit date:1990-03-19
Release date:1991-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a berenil-dodecanucleotide complex: the role of water in sequence-specific ligand binding.
EMBO J., 9, 1990
1D63
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CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES
Descriptor:DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION, BERENIL
Authors:Brown, D.G., Sanderson, M.R., Garman, E., Neidle, S.
Deposit date:1992-03-02
Release date:1993-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a berenil-d(CGCAAATTTGCG) complex. An example of drug-DNA recognition based on sequence-dependent structural features.
J.Mol.Biol., 226, 1992
1D65
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MOLECULAR STRUCTURE OF THE B-DNA DODECAMER D(CGCAAATTTGCG)2; AN EXAMINATION OF PROPELLER TWIST AND MINOR-GROOVE WATER STRUCTURE AT 2.2 ANGSTROMS RESOLUTION
Descriptor:DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Edwards, K.J., Brown, D.G., Spink, N., Neidle, S.
Deposit date:1992-03-02
Release date:1993-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular structure of the B-DNA dodecamer d(CGCAAATTTGCG)2. An examination of propeller twist and minor-groove water structure at 2.2 A resolution.
J.Mol.Biol., 226, 1992
1POS
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CRYSTAL STRUCTURE OF A NOVEL DISULFIDE-LINKED "TREFOIL" MOTIF FOUND IN A LARGE FAMILY OF PUTATIVE GROWTH FACTORS
Descriptor:PORCINE PANCREATIC SPASMOLYTIC POLYPEPTIDE
Authors:De, A., Brown, D., Gorman, M., Carr, M., Sanderson, M.R., Freemont, P.S.
Deposit date:1993-10-08
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a disulfide-linked "trefoil" motif found in a large family of putative growth factors.
Proc.Natl.Acad.Sci.USA, 91, 1994
295D
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CRYSTAL AND SOLUTION STRUCTURES OF THE OLIGONUCLEOTIDE D(ATGCGCAT)2: A COMBINED X-RAY AND NMR STUDY
Descriptor:DNA (5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3')
Authors:Clark, G.R., Brown, D.G., Sanderson, M.R., Chwalinski, T., Neidle, S., Veal, J.M., Jones, R.L., Wilson, W.D., Zon, G., Garman, E., Stuart, D.I.
Deposit date:1991-05-28
Release date:1996-12-04
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal and solution structures of the oligonucleotide d(ATGCGCAT)2: a combined X-ray and NMR study.
Nucleic Acids Res., 18, 1990
296D
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SEQUENCE-DEPENDENT EFFECTS IN DRUG-DNA INTERACTION: THE CRYSTAL STRUCTURE OF HOECHST 33258 BOUND TO THE D(CGCAAATTTGCG)2 DUPLEX
Descriptor:DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Authors:Spink, N., Brown, D.G., Skelly, J.V., Neidle, S.
Deposit date:1994-07-21
Release date:1996-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex.
Nucleic Acids Res., 22, 1994
1KIM
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE
Descriptor:THYMIDINE KINASE, SULFATE ION, THYMIDINE
Authors:Champness, J.N., Bennett, M.S., Wien, F., Brown, D.G., Visse, R., Sandhu, G., Davies, A., Rizkallah, P.J., Melitz, C., Summers, W.C., Sanderson, M.R.
Deposit date:1997-11-12
Release date:1998-05-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI2
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH GANCICLOVIR
Descriptor:THYMIDINE KINASE, SULFATE ION, 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE
Authors:Champness, J.N., Bennett, M.S., Wien, F., Brown, D.G., Visse, R., Sandhu, G., Davies, A., Rizkallah, P.J., Melitz, C., Summers, W.C., Sanderson, M.R.
Deposit date:1998-05-15
Release date:1998-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI4
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOTHIENYLDEOXYURIDINE
Descriptor:THYMIDINE KINASE, SULFATE ION, 5-BROMOTHIENYLDEOXYURIDINE
Authors:Champness, J.N., Bennett, M.S., Wien, F., Visse, R., Summers, W.C., Sanderson, M.R.
Deposit date:1998-05-18
Release date:1998-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI6
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH A 5-IODOURACIL ANHYDROHEXITOL NUCLEOSIDE
Descriptor:THYMIDINE KINASE, SULFATE ION, 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IODOURACIL-1-YL)-D-ABABINO-HEXITOL
Authors:Champness, J.N., Bennett, M.S., Wien, F., Herdewijn, P., Ostrowski, T., Summers, W.C., Sanderson, M.R.
Deposit date:1998-05-18
Release date:1998-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI7
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-IODODEOXYURIDINE
Descriptor:THYMIDINE KINASE, SULFATE ION, 5-IODODEOXYURIDINE
Authors:Champness, J.N., Bennett, M.S., Wien, F., Visse, R., Summers, W.C., Sanderson, M.R.
Deposit date:1998-05-15
Release date:1998-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI8
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOVINYLDEOXYURIDINE
Descriptor:THYMIDINE KINASE, SULFATE ION, 5-BROMOVINYLDEOXYURIDINE
Authors:Champness, J.N., Bennett, M.S., Wien, F., Visse, R., Summers, W.C., Sanderson, M.R.
Deposit date:1998-05-15
Release date:1998-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI3
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR
Descriptor:THYMIDINE KINASE, SULFATE ION, 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE
Authors:Champness, J.N., Bennett, M.S., Wien, F., Visse, R., Jarvest, R.L., Summers, W.C., Sanderson, M.R.
Deposit date:1998-05-15
Release date:1999-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1E2L
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KINETICS AND CRYSTAL STRUCTURE OF THE WILD-TYPE AND THE ENGINEERED Y101F MUTANT OF HERPES SIMPLEX VIRUS TYPE 1 THYMIDINE KINASE INTERACTING WITH (NORTH)-METHANOCARBA-THYMIDINE
Descriptor:THYMIDINE KINASE, SULFATE ION, 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Authors:Vogt, J., Scapozza, L., Schulz, G.E.
Deposit date:2000-05-23
Release date:2000-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetics and Crystal Structure of the Wild-Type and the Engineered Y101F Mutant of Herpes Simplex Virus Type 1 Thymidine Kinase Interacting with (North)-Methanocarba-Thymidine
Biochemistry, 39, 2000
1E2K
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KINETICS AND CRYSTAL STRUCTURE OF THE WILD-TYPE AND THE ENGINEERED Y101F MUTANT OF HERPES SIMPLEX VIRUS TYPE 1 THYMIDINE KINASE INTERACTING WITH (NORTH)-METHANOCARBA-THYMIDINE
Descriptor:THYMIDINE KINASE, SULFATE ION, 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Authors:Vogt, J., Scapozza, L., Schulz, G.E.
Deposit date:2000-05-23
Release date:2000-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Kinetics and Crystal Structure of the Wild-Type and the Engineered Y101F Mutant of Herpes Simplex Virus Type 1 Thymidine Kinase Interacting with (North)-Methanocarba-Thymidine
Biochemistry, 39, 2000
1E2H
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THE NUCLEOSIDE BINDING SITE OF HERPES SIMPLEX TYPE 1 THYMIDINE KINASE ANALYZED BY X-RAY CRYSTALLOGRAPHY
Descriptor:THYMIDINE KINASE, SULFATE ION
Authors:Vogt, J., Scapozza, L., Schulz, G.E.
Deposit date:2000-05-23
Release date:2000-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography
Proteins: Struct.,Funct., Genet., 41, 2000
1E2I
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THE NUCLEOSIDE BINDING SITE OF HERPES SIMPLEX TYPE 1 THYMIDINE KINASE ANALYZED BY X-RAY CRYSTALLOGRAPHY
Descriptor:THYMIDINE KINASE, SULFATE ION, 9-HYDROXYPROPYLADENINE, ...
Authors:Vogt, J., Scapozza, L., Schulz, G.E.
Deposit date:2000-05-23
Release date:2000-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography
Proteins, 41, 2000
1E2J
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THE NUCLEOSIDE BINDING SITE OF HERPES SIMPLEX TYPE 1 THYMIDINE KINASE ANALYZED BY X-RAY CRYSTALLOGRAPHY
Descriptor:THYMIDINE KINASE, SULFATE ION, THYMIDINE
Authors:Vogt, J., Scapozza, L., Schulz, G.E.
Deposit date:2000-05-23
Release date:2000-11-06
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography
Proteins: Struct.,Funct., Genet., 41, 2000
1E2M
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HPT + HMTT
Descriptor:THYMIDINE KINASE, SULFATE ION, 6-HYDROXYPROPYLTHYMINE
Authors:Vogt, J., Scapozza, L., Schulz, G.E.
Deposit date:2000-05-23
Release date:2001-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase
Protein Sci., 10, 2001
1E2N
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HPT + HMTT
Descriptor:THYMIDINE KINASE, SULFATE ION, 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Authors:Vogt, J., Scapozza, L., Schulz, G.E.
Deposit date:2000-05-23
Release date:2001-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase
Protein Sci., 10, 2001
1E2P
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THYMIDINE KINASE, DHBT
Descriptor:THYMIDINE KINASE, SULFATE ION, 6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Authors:Schulz, G.E., Kessler, U.
Deposit date:2000-05-23
Release date:2001-04-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase
Protein Sci., 10, 2001
2BTZ
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CRYSTAL STRUCTURES OF HUMAN PYRUVATE DEHYDROGENASE KINASE 2 CONTAINING PHYSIOLOGICAL AND SYNTHETIC LIGANDS
Descriptor:PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
Authors:Knoechel, T.R., Tucker, A.D., Robinson, C.M., Phillips, C., Taylor, W., Bungay, P.J., Kasten, S.A., Roche, T.E., Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2BU2
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CRYSTAL STRUCTURES OF HUMAN PYRUVATE DEHYDROGENASE KINASE 2 CONTAINING PHYSIOLOGICAL AND SYNTHETIC LIGANDS
Descriptor:PYRUVATE DEHYDROGENSAE KINASE ISOENZYME 2, ADENOSINE-5'-TRIPHOSPHATE, 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, ...
Authors:Knoechel, T.R., Tucker, A.D., Robinson, C.M., Phillips, C., Taylor, W., Bungay, P.J., Kasten, S.A., Roche, T.E., Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2BU5
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CRYSTAL STRUCTURES OF HUMAN PYRUVATE DEHYDROGENASE KINASE 2 CONTAINING PHYSIOLOGICAL AND SYNTHETIC LIGANDS
Descriptor:PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2, 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE
Authors:Knoechel, T.R., Tucker, A.D., Robinson, C.M., Phillips, C., Taylor, W., Bungay, P.J., Kasten, S.A., Roche, T.E., Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2BU6
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CRYSTAL STRUCTURES OF HUMAN PYRUVATE DEHYDROGENASE KINASE 2 CONTAINING PHYSIOLOGICAL AND SYNTHETIC LIGANDS
Descriptor:PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2, (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE
Authors:Knoechel, T.R., Tucker, A.D., Robinson, C.M., Phillips, C., Taylor, W., Bungay, P.J., Kasten, S.A., Roche, T.E., Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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