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1MRS	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH 5-CH2OH DEOXYURIDINE MONOPHOSPHATE Descriptor: 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... Authors: Haouz, A, Vanheusden, V, Munier-Lehmann, H, Froeyen, M, Herdewijn, P, Van Calenbergh, S, Delarue, M. Deposit date: 2002-09-18 Release date: 2003-01-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism. J.Biol.Chem., 278, 2003
1D45	DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWN Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION Authors: Quintana, J.R, Lipanov, A.A, Dickerson, R.E. Deposit date: 1991-06-04 Release date: 1992-04-15 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G. Biochemistry, 30, 1991
1D63	CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES Descriptor: BERENIL, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION Authors: Brown, D.G, Sanderson, M.R, Garman, E, Neidle, S. Deposit date: 1992-03-02 Release date: 1993-01-15 Last modified: 2024-02-07 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
1D46	DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-100 DEGREES C, PIPERAZINE DOWN Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION Authors: Quintana, J.R, Lipanov, A.A, Dickerson, R.E. Deposit date: 1991-06-04 Release date: 1992-04-15 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G. Biochemistry, 30, 1991
1E2L	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: 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE Authors: Vogt, J, Scapozza, L, Schulz, G.E. Deposit date: 2000-05-23 Release date: 2000-08-18 Last modified: 2023-12-06 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
1DNE	MOLECULAR STRUCTURE OF THE NETROPSIN-D(CGCGATATCGCG) COMPLEX: DNA CONFORMATION IN AN ALTERNATING AT SEGMENT; CONFORMATION 2 Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), NETROPSIN Authors: Coll, M, Aymami, J, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Wang, A.H.-J. Deposit date: 1988-09-14 Release date: 1989-01-09 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Molecular structure of the netropsin-d(CGCGATATCGCG) complex: DNA conformation in an alternating AT segment. Biochemistry, 28, 1989
1DN8	STRUCTURE OF A Z-DNA WITH TWO DIFFERENT BACKBONE CHAIN CONFORMATIONS. STABILIZATION OF THE DECADEOXYOLIGONUCLEOTIDE D(CGTACGTACG) BY (CO(NH3)6)3+ BINDING TO THE GUANINE Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*P*CP*GP*TP*AP*CP*GP*TP*AP*CP*G)-3') Authors: Brennan, R.G, Westhof, E, Sundaralingam, M. Deposit date: 1987-05-12 Release date: 1988-04-16 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure of a Z-DNA with two different backbone chain conformations. Stabilization of the decadeoxyoligonucleotide d(CGTACGTACG) by [Co(NH3)6]3+ binding to the guanine. J.Biomol.Struct.Dyn., 3, 1986
1DXN	The Solution Structure of [d(CGC)r(aaa)d(TTTGCG)]2: Hybrid Junctions Flanked by DNA Duplexes Descriptor: DNA/RNA (5'-D(*CP*GP*CP)-R(*AP*AP*AP)-D(*TP*TP*TP*GP*CP*G)-3') Authors: Hsu, S.-T, Chou, M.-T, Cheng, J.-W. Deposit date: 2000-01-11 Release date: 2000-04-11 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Hydration of [D(Cgc)R(Aaa)D(Tttgcg)]2 J.Mol.Biol., 295, 2000
1E2I	The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography Descriptor: 9-HYDROXYPROPYLADENINE, R-ISOMER, S-ISOMER, ... Authors: Vogt, J, Scapozza, L, Schulz, G.E. Deposit date: 2000-05-23 Release date: 2000-11-06 Last modified: 2023-12-06 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	The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography Descriptor: SULFATE ION, THYMIDINE, THYMIDINE KINASE Authors: Vogt, J, Scapozza, L, Schulz, G.E. Deposit date: 2000-05-23 Release date: 2000-11-06 Last modified: 2023-12-06 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
1E2H	The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography Descriptor: SULFATE ION, THYMIDINE KINASE Authors: Vogt, J, Scapozza, L, Schulz, G.E. Deposit date: 2000-05-23 Release date: 2000-11-06 Last modified: 2023-12-06 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
1E2K	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: 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE Authors: Vogt, J, Scapozza, L, Schulz, G.E. Deposit date: 2000-05-23 Release date: 2000-08-19 Last modified: 2023-12-06 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
4ASJ	Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor Descriptor: CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide, ... Authors: Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. Deposit date: 2012-05-01 Release date: 2012-10-31 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
1FKZ	NMR STUDY OF B-DNA CONTAINING A MISMATCHED BASE PAIR IN THE 29-39 K-RAS GENE SEQUENCE: CC CT C+C C+T, 2 STRUCTURES Descriptor: DNA (5'-D(*GP*AP*GP*CP*TP*CP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*CP*AP*GP*CP*TP*C)-3') Authors: Boulard, Y, Cognet, J.A.H, Fazakerley, G.V. Deposit date: 1996-10-09 Release date: 1997-03-12 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Solution structure as a function of pH of two central mismatches, C . T and C . C, in the 29 to 39 K-ras gene sequence, by nuclear magnetic resonance and molecular dynamics. J.Mol.Biol., 268, 1997
101D	REFINEMENT OF NETROPSIN BOUND TO DNA: BIAS AND FEEDBACK IN ELECTRON DENSITY MAP INTERPRETATION Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CBR)P*GP*CP*G)-3'), MAGNESIUM ION, NETROPSIN Authors: Goodsell, D.S, Kopka, M.L, Dickerson, R.E. Deposit date: 1994-12-14 Release date: 1995-02-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Refinement of netropsin bound to DNA: bias and feedback in electron density map interpretation. Biochemistry, 34, 1995
113D	THE STRUCTURE OF GUANOSINE-THYMIDINE MISMATCHES IN B-DNA AT 2.5 ANGSTROMS RESOLUTION Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*TP*GP*CP*G)-3') Authors: Hunter, W.N, Brown, T, Kneale, G, Anand, N.N, Rabinovich, D, Kennard, O. Deposit date: 1993-01-04 Release date: 1993-07-15 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The structure of guanosine-thymidine mismatches in B-DNA at 2.5-A resolution. J.Biol.Chem., 262, 1987
179D	SOLUTION STRUCTURE OF THE D(T-C-G-A) DUPLEX AT ACIDIC PH: A PARALLEL-STRANDED HELIX CONTAINING C+.C, G.G AND A.A PAIRS Descriptor: DNA (5'-D(*TP*CP*GP*A)-3') Authors: Wang, Y, Patel, D.J. Deposit date: 1994-06-15 Release date: 1994-07-31 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Solution structure of the d(T-C-G-A) duplex at acidic pH. A parallel-stranded helix containing C+ .C, G.G and A.A pairs. J.Mol.Biol., 242, 1994
1A9I	APYRIMIDINIC DNA WITH BOUND WATER AT THE DAMAGED SITE, ALPHA FORM, NMR, 1 STRUCTURE Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AABP*AP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*TP*AP*TP*CP*GP*CP*G)-3') Authors: Beger, R.D, Bolton, P.H. Deposit date: 1998-04-06 Release date: 1998-07-15 Last modified: 2024-04-10 Method: SOLUTION NMR Cite: Structures of apurinic and apyrimidinic sites in duplex DNAs. J.Biol.Chem., 273, 1998
2FDF	Crystal Structure of AlkB in complex with Co(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T Descriptor: 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... Authors: Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) Deposit date: 2005-12-13 Release date: 2006-02-21 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
2ES2	Crystal Structure Analysis of the Bacillus Subtilis Cold Shock Protein Bs-CspB in Complex with Hexathymidine Descriptor: 5'-D(*TP*TP*TP*TP*TP*T)-3', CALCIUM ION, Cold shock protein cspB Authors: Max, K.E.A, Bienert, M, Heinemann, U. Deposit date: 2005-10-25 Release date: 2006-09-05 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.78 Å) Cite: T-rich DNA single strands bind to a preformed site on the bacterial cold shock protein Bs-CspB. J.Mol.Biol., 360, 2006
2FDG	Crystal Structure of AlkB in complex with Fe(II), succinate, and methylated trinucleotide T-meA-T Descriptor: 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, FE (II) ION, ... Authors: Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) Deposit date: 2005-12-13 Release date: 2006-02-21 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
2FDI	Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T (air 3 hours) Descriptor: 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... Authors: Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) Deposit date: 2005-12-14 Release date: 2006-02-21 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
2FD8	Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T Descriptor: 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... Authors: Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) Deposit date: 2005-12-13 Release date: 2006-02-21 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
1A9H	APURINIC DNA WITH BOUND WATER AT THE DAMAGED SITE AND O2 OF CYTOSINE, BETA FORM, NMR, 1 STRUCTURE Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AABP*AP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*TP*CP*TP*CP*GP*CP*G)-3') Authors: Beger, R.D, Bolton, P.H. Deposit date: 1998-04-06 Release date: 1998-07-15 Last modified: 2024-04-10 Method: SOLUTION NMR Cite: Structures of apurinic and apyrimidinic sites in duplex DNAs. J.Biol.Chem., 273, 1998
1A9G	APURINIC DNA WITH BOUND WATER AT THE DAMAGED SITE AND N3 OF CYTOSINE, BETA FORM, NMR, 1 STRUCTURE Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AABP*AP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*TP*CP*TP*CP*GP*CP*G)-3') Authors: Beger, R.D, Bolton, P.H. Deposit date: 1998-04-06 Release date: 1998-07-15 Last modified: 2024-04-10 Method: SOLUTION NMR Cite: Structures of apurinic and apyrimidinic sites in duplex DNAs. J.Biol.Chem., 273, 1998

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