7PTF
 
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-27 | | Release date: | 2022-10-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PTG
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-27 | | Release date: | 2022-10-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PQI
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PQM
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PQL
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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4AI5
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217D
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216D
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5CQH
 | | Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Shi, K, Kurahashi, K, Aihara, H. | | Deposit date: | 2015-07-21 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain.
J.Biol.Chem., 290, 2015
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2JHJ
 | | 3-methyladenine dna-glycosylase from Archaeoglobus fulgidus | | Descriptor: | 3-METHYLADENINE DNA-GLYCOSYLASE, GLYCEROL, SODIUM ION | | Authors: | Leiros, I, Nabong, M.P, Grosvik, K, Ringvoll, J, Haugland, G.T, Uldal, L, Reite, K, Olsbu, I.K, Knaevelsrud, I, Moe, E, Andersen, O.A, Birkeland, N.K, Ruoff, P, Klungland, A, Bjelland, S. | | Deposit date: | 2007-02-22 | | Release date: | 2007-04-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Enzymatic Excision of N1-Methyladenine and N3-Methylcytosine from DNA
Embo J., 26, 2007
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144D
 | | MINOR GROOVE BINDING OF SN6999 TO AN ALKYLATED DNA: MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-SN6999 COMPLEX | | Descriptor: | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM, DNA (5'-D(*CP*GP*CP*(G36)P*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Gao, Y.-G, Sriram, M, Denny, W.A, Wang, A.H.-J. | | Deposit date: | 1993-10-26 | | Release date: | 1995-05-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Minor groove binding of SN6999 to an alkylated DNA: molecular structure of d(CGC[e6G]AATTCGCG)-SN6999 complex.
Biochemistry, 32, 1993
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3MQ6
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6QX2
 | | 3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA | | Descriptor: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D. | | Deposit date: | 2019-03-06 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.
Bioorg.Med.Chem.Lett., 29, 2019
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2JHN
 | | 3-methyladenine dna-glycosylase from Archaeoglobus fulgidus | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-METHYLADENINE DNA-GLYCOSYLASE, GLYCEROL, ... | | Authors: | Leiros, I, Nabong, M.P, Grosvik, K, Ringvoll, J, Haugland, G.T, Uldal, L, Reite, K, Olsbu, I.K, Knaevelsrud, I, Moe, E, Andersen, O.A, Birkeland, N.K, Ruoff, P, Klungland, A, Bjelland, S. | | Deposit date: | 2007-02-22 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Enzymatic Excision of N1-Methyladenine and N3-Methylcytosine from DNA
Embo J., 26, 2007
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8Q9P
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC5 deacetylase binding motif | | Descriptor: | HDAC5 (histone deacetylase 5) binding motif peptide: TRP-GLY-SER-GLY-GLU-VAL-LYS-LEU-ARG-LEU-GLN-GLU-PHE-LEU-LEU-SER-LYS-SER, MADS box dsDNA fw: AACTATTTATAAGA, MADS box dsNA rev:TCTTATAAATAGTT, ... | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-08-20 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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3ZLJ
 | | CRYSTAL STRUCTURE OF FULL-LENGTH E.COLI DNA MISMATCH REPAIR PROTEIN MUTS D835R MUTANT IN COMPLEX WITH GT MISMATCHED DNA | | Descriptor: | 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP *AP*GP*TP*GP*TP*CP*AP)-3', 5'-D(*TP*GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*TP*TP *GP*GP*CP*AP*GP*CP*TP)-3', DNA MISMATCH REPAIR PROTEIN MUTS | | Authors: | Groothuizen, F.S, Fish, A, Petoukhov, M.V, Reumer, A, Manelyte, L, Winterwerp, H.H.K, Marinus, M.G, Lebbink, J.H.G, Svergun, D.I, Friedhoff, P, Sixma, T.K. | | Deposit date: | 2013-02-01 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Using Stable Muts Dimers and Tetramers to Quantitatively Analyze DNA Mismatch Recognition and Sliding Clamp Formation.
Nucleic Acids Res., 41, 2013
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2AOR
 | | Crystal structure of MutH-hemimethylated DNA complex | | Descriptor: | 5'-D(*CP*AP*GP*GP*(6MA)P*TP*CP*CP*AP*AP*GP*CP*TP*TP*GP*GP*AP*TP*CP*CP*TP*G)-3', CALCIUM ION, DNA mismatch repair protein mutH | | Authors: | Lee, J.Y, Chang, J, Joseph, N, Ghirlando, R, Rao, D.N, Yang, W. | | Deposit date: | 2005-08-13 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | MutH complexed with hemi- and unmethylated DNAs: coupling base recognition and DNA cleavage.
Mol.Cell, 20, 2005
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5KEO
 | | Structure Determination of a Self-Assembling DNA Crystal | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ... | | Authors: | Simmons, C.R, Birktoft, J.J, Seeman, N.C, Yan, H. | | Deposit date: | 2016-06-09 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Construction and Structure Determination of a Three-Dimensional DNA Crystal.
J.Am.Chem.Soc., 138, 2016
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2NOZ
 | | Structure of Q315F human 8-oxoguanine glycosylase distal crosslink to 8-oxoguanine DNA | | Descriptor: | 5'-D(*G*CP*GP*TP*CP*CP*AP*(G42)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*G*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', CALCIUM ION, ... | | Authors: | Radom, C.T, Banerjee, A, Verdine, G.L. | | Deposit date: | 2006-10-26 | | Release date: | 2006-11-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural characterization of human 8-oxoguanine DNA glycosylase variants bearing active site mutations.
J.Biol.Chem., 282, 2007
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2NOF
 | | Structure of Q315F human 8-oxoguanine glycosylase proximal crosslink to 8-oxoguanine DNA | | Descriptor: | 5'-D(*GP*CP*GP*TP*C*CP*AP*(G42)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', CALCIUM ION, ... | | Authors: | Radom, C.T, Banerjee, A, Verdine, G.L. | | Deposit date: | 2006-10-25 | | Release date: | 2006-11-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural characterization of human 8-oxoguanine DNA glycosylase variants bearing active site mutations.
J.Biol.Chem., 282, 2007
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1Q0S
 | | Binary Structure of T4DAM with AdoHcy | | Descriptor: | DNA adenine methylase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Yang, Z, Horton, J.R, Zhou, L, Zhang, X.J, Dong, A, Zhang, X, Schlagman, S.L, Kossykh, V, Hattman, S, Cheng, X. | | Deposit date: | 2003-07-17 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the bacteriophage T4 DNA adenine methyltransferase
Nat.Struct.Biol., 10, 2003
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2NOI
 | | Structure of G42A human 8-oxoguanine glycosylase crosslinked to undamaged G-containing DNA | | Descriptor: | 5'-D(*GP*CP*GP*TP*C*CP*AP*GP*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', CALCIUM ION, ... | | Authors: | Radom, C.T, Banerjee, A, Verdine, G.L. | | Deposit date: | 2006-10-25 | | Release date: | 2006-11-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural characterization of human 8-oxoguanine DNA glycosylase variants bearing active site mutations.
J.Biol.Chem., 282, 2007
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2AOQ
 | | Crystal structure of MutH-unmethylated DNA complex | | Descriptor: | 5'-D(*GP*CP*AP*TP*GP*AP*TP*CP*AP*TP*GP*C)-3', CALCIUM ION, DNA mismatch repair protein mutH | | Authors: | Lee, J.Y, Chang, J, Joseph, N, Ghirlando, R, Rao, D.N, Yang, W. | | Deposit date: | 2005-08-13 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | MutH complexed with hemi- and unmethylated DNAs: coupling base recognition and DNA cleavage.
Mol.Cell, 20, 2005
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1PT3
 | | Crystal structures of nuclease-ColE7 complexed with octamer DNA | | Descriptor: | 5'-GCGATCGC-3', Colicin E7 | | Authors: | Hsia, K.C, Chak, K.F, Cheng, Y.S, Ku, W.Y, Yuan, H.S. | | Deposit date: | 2003-06-22 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | DNA binding and degradation by the HNH protein ColE7.
STRUCTURE, 12, 2004
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1BSU
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