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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
1MRN	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH BISUBSTRATE INHIBITOR (TP5A) Descriptor: MAGNESIUM ION, P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, 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 (2.45 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
2UVR	Crystal structures of mutant Dpo4 DNA polymerases with 8-oxoG containing DNA template-primer constructs Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*C)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... Authors: Irimia, A, Egli, M. Deposit date: 2007-03-13 Release date: 2007-05-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Hydrogen Bonding of 7,8-Dihydro-8-Oxodeoxyguanosine with a Charged Residue in the Little Finger Domain Determines Miscoding Events in Sulfolobus Solfataricus DNA Polymerase Dpo4. J.Biol.Chem., 282, 2007
2UVW	Crystal structures of mutant Dpo4 DNA polymerases with 8-oxoG containing DNA template-primer constructs Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*A)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... Authors: Irimia, A, Egli, M. Deposit date: 2007-03-14 Release date: 2007-05-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Hydrogen Bonding of 7,8-Dihydro-8-Oxodeoxyguanosine with a Charged Residue in the Little Finger Domain Determines Miscoding Events in Sulfolobus Solfataricus DNA Polymerase Dpo4. J.Biol.Chem., 282, 2007
2UVU	Crystal structures of mutant Dpo4 DNA polymerases with 8-oxoG containing DNA template-primer constructs Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*A)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... Authors: Irimia, A, Egli, M. Deposit date: 2007-03-14 Release date: 2007-05-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Hydrogen Bonding of 7,8-Dihydro-8-Oxodeoxyguanosine with a Charged Residue in the Little Finger Domain Determines Miscoding Events in Sulfolobus Solfataricus DNA Polymerase Dpo4. J.Biol.Chem., 282, 2007
2UVV	Crystal structures of mutant Dpo4 DNA polymerases with 8-oxoG containing DNA template-primer constructs Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*C)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... Authors: Irimia, A, Egli, M. Deposit date: 2007-03-14 Release date: 2007-05-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Hydrogen Bonding of 7,8-Dihydro-8-Oxodeoxyguanosine with a Charged Residue in the Little Finger Domain Determines Miscoding Events in Sulfolobus Solfataricus DNA Polymerase Dpo4. J.Biol.Chem., 282, 2007
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
2DBE	CRYSTAL STRUCTURE OF A BERENIL-DODECANUCLEOTIDE COMPLEX: THE ROLE OF WATER IN SEQUENCE-SPECIFIC LIGAND BINDING Descriptor: BERENIL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') 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: 2024-02-14 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
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
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
2CCG	Crystal structure of His-tagged S. aureus thymidylate kinase complexed with thymidine monophosphate (TMP) Descriptor: THYMIDINE-5'-PHOSPHATE, THYMIDYLATE KINASE Authors: Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. Deposit date: 2006-01-16 Release date: 2006-03-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
2CCK	CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE Authors: Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. Deposit date: 2006-01-16 Release date: 2006-03-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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
1A9J	APYRIMIDINIC DNA WITH BOUND WATER AT THE DAMAGED SITE, 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*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
2CCJ	Crystal structure of S. aureus thymidylate kinase complexed with thymidine monophosphate Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDINE-5'-PHOSPHATE, ... Authors: Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. Deposit date: 2006-01-16 Release date: 2006-03-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
1BJD	SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING SINGLE G*T MISMATCHES USING RELAXATION MATRIX ANALYSIS AND RESTRAINED MOLECULAR DYNAMICS, NMR, 1 STRUCTURE Descriptor: DNA (5'-D(*CP*GP*TP*GP*AP*CP*GP*TP*TP*AP*CP*G)-3') Authors: Allawi, H.T, Santalucia Junior, J. Deposit date: 1998-06-24 Release date: 1999-01-13 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: NMR solution structure of a DNA dodecamer containing single G*T mismatches. Nucleic Acids Res., 26, 1998
1BW7	SOLUTION STRUCTURE OF A DNA DUPLEX CONTAINING A REPLICABLE DIFLUOROTOLUENE-ADENINE PAIR Descriptor: DNA (5'-D(*CP*GP*CP*AP*TP*(DFT)P*GP*TP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*CP*AP*AP*TP*GP*CP*G)-3') Authors: Guckian, K.M, Krugh, T.R, Kool, E.T. Deposit date: 1998-09-30 Release date: 1998-10-07 Last modified: 2024-04-10 Method: SOLUTION NMR Cite: Solution structure of a DNA duplex containing a replicable difluorotoluene-adenine pair. Nat.Struct.Biol., 5, 1998
2FDH	Crystal Structure of AlkB in complex with Mn(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: 2005-12-14 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
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
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
2FDK	Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T (air 9 days) 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 (2.3 Å) Cite: Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006

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