2W3O
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4WSZ
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4WT0
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7P2W
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![BU of 7p2w by Molmil](/molmil-images/mine/7p2w) | E.coli GyrB24 with inhibitor LMD92 (EBL2682) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 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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7P2M
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![BU of 7p2m by Molmil](/molmil-images/mine/7p2m) | E.coli GyrB24 with inhibitor LMD43 (EBL2560) | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 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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4D2I
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![BU of 4d2i by Molmil](/molmil-images/mine/4d2i) | Crystal structure of the HerA hexameric DNA translocase from Sulfolobus solfataricus bound to AMP-PNP | Descriptor: | HERA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Rzechorzek, N.J, Blackwood, J.K, Bray, S.M, Maman, J.D, Pellegrini, L, Robinson, N.P. | Deposit date: | 2014-05-09 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.841 Å) | Cite: | Structure of the Hexameric Hera ATPase Reveals a Mechanism of Translocation-Coupled DNA-End Processing in Archaea Nat.Commun., 5, 2014
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404D
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1XPP
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![BU of 1xpp by Molmil](/molmil-images/mine/1xpp) | Crystal Structure of TA1416,DNA-directed RNA polymerase subunit L, from Thermoplasma acidophilum | Descriptor: | ACETIC ACID, DNA-directed RNA polymerase subunit L, FORMIC ACID, ... | Authors: | Kim, Y, Joachimiak, A, Evdokimova, E, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-10-09 | Release date: | 2004-11-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of TA1416, DNA-directed RNA polymerase subunit L, from Thermoplasma acidophilum To be Published
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1SKM
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![BU of 1skm by Molmil](/molmil-images/mine/1skm) | HhaI methyltransferase in complex with DNA containing an abasic south carbocyclic sugar at its target site | Descriptor: | 5'-D(*T*GP*TP*CP*AP*GP*(HCX)P*GP*CP*AP*TP*GP*G)-3', 5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', Modification methylase HhaI, ... | Authors: | Horton, J.R, Ratner, G, Banavali, N, Huang, N, Marquez, V.E, MacKerell, A.D, Cheng, X. | Deposit date: | 2004-03-05 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase Nucleic Acids Res., 32, 2004
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1S1K
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4EW0
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![BU of 4ew0 by Molmil](/molmil-images/mine/4ew0) | mouse MBD4 glycosylase domain in complex with a G:5hmU (5-hydroxymethyluracil) mismatch | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*GP*(5HU)P*GP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'), ... | Authors: | Hashimoto, H, Zhang, X, Cheng, X. | Deposit date: | 2012-04-26 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Excision of thymine and 5-hydroxymethyluracil by the MBD4 DNA glycosylase domain: structural basis and implications for active DNA demethylation. Nucleic Acids Res., 40, 2012
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3RZJ
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![BU of 3rzj by Molmil](/molmil-images/mine/3rzj) | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', ... | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | Deposit date: | 2011-05-11 | Release date: | 2012-06-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage Nat.Struct.Mol.Biol., 19, 2012
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3RZH
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![BU of 3rzh by Molmil](/molmil-images/mine/3rzh) | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | Descriptor: | 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ... | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | Deposit date: | 2011-05-11 | Release date: | 2012-06-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage Nat.Struct.Mol.Biol., 19, 2012
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3RZG
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![BU of 3rzg by Molmil](/molmil-images/mine/3rzg) | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | Descriptor: | 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ... | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | Deposit date: | 2011-05-11 | Release date: | 2012-06-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage Nat.Struct.Mol.Biol., 19, 2012
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3RZM
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![BU of 3rzm by Molmil](/molmil-images/mine/3rzm) | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | Descriptor: | 5'-D(*AP*TP*GP*TP*AP*TP*AP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ... | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | Deposit date: | 2011-05-11 | Release date: | 2012-06-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage Nat.Struct.Mol.Biol., 19, 2012
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3RZK
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![BU of 3rzk by Molmil](/molmil-images/mine/3rzk) | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(EDA)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*GP*AP*CP*A)-3', ... | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | Deposit date: | 2011-05-11 | Release date: | 2012-06-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage Nat.Struct.Mol.Biol., 19, 2012
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8G1I
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![BU of 8g1i by Molmil](/molmil-images/mine/8g1i) | SpCas9 with sgRNA and target DNA | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA E2_NTS, DNA E2_TS, ... | Authors: | Korolev, S, Gagnon, K. | Deposit date: | 2023-02-02 | Release date: | 2023-05-17 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | SpCas9 with sgRNA and target DNA To Be Published
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3RZL
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![BU of 3rzl by Molmil](/molmil-images/mine/3rzl) | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | Descriptor: | 5'-D(*AP*TP*GP*TP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*IP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ... | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | Deposit date: | 2011-05-11 | Release date: | 2012-06-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage Nat.Struct.Mol.Biol., 19, 2012
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6PZV
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2W36
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![BU of 2w36 by Molmil](/molmil-images/mine/2w36) | Structures of endonuclease V with DNA reveal initiation of deaminated adenine repair | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*TP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*BRUP*AP*CP*IP*GP*AP*BRUP*CP*GP)-3', ENDONUCLEASE V | Authors: | Dalhus, B, Arvai, A.S, Rosnes, I, Olsen, O.E, Backe, P.H, Alseth, I, Gao, H, Cao, W, Tainer, J.A, Bjoras, M. | Deposit date: | 2008-11-06 | Release date: | 2009-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of Endonuclease V with DNA Reveal Initiation of Deaminated Adenine Repair. Nat.Struct.Mol.Biol., 16, 2009
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1N14
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![BU of 1n14 by Molmil](/molmil-images/mine/1n14) | Structure and Dynamics of Thioguanine-modified Duplex DNA in Comparison with Unmodified DNA; Structure of Unmodified Duplex DNA | Descriptor: | 5'-D(*GP*CP*TP*AP*AP*GP*GP*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3' | Authors: | Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W. | Deposit date: | 2002-10-16 | Release date: | 2002-10-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of thioguanine-modified duplex DNA J.Biol.Chem., 278, 2003
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1RVE
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![BU of 1rve by Molmil](/molmil-images/mine/1rve) | |
1R68
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![BU of 1r68 by Molmil](/molmil-images/mine/1r68) | Role of the amino sugar in DNA binding of disaccharide anthracyclines: crystal structure of MAR70/d(CGATCG) complex | Descriptor: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN, 5'-D(*CP*GP*AP*TP*CP*G)-3' | Authors: | Temperini, C, Cirilli, M, Aschi, M, Ughetto, G. | Deposit date: | 2003-10-15 | Release date: | 2005-02-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Role of the amino sugar in DNA binding of disaccharide anthracyclines: crystal structure of the complex MAR70/d(CGATCG). BIOORG.MED.CHEM., 13, 2005
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2W35
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![BU of 2w35 by Molmil](/molmil-images/mine/2w35) | Structures of endonuclease V with DNA reveal initiation of deaminated adenine repair | Descriptor: | 5'-D(*AP*GP*CP*CP*GP*TP)-3', 5'-D(*AP*TP*GP*CP*GP*AP*CP*IP*GP)-3', Endonuclease V, ... | Authors: | Dalhus, B, Arvai, A.S, Rosnes, I, Olsen, O.E, Backe, P.H, Alseth, I, Gao, H, Cao, W, Tainer, J.A, Bjoras, M. | Deposit date: | 2008-11-06 | Release date: | 2009-01-20 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of Endonuclease V with DNA Reveal Initiation of Deaminated Adenine Repair. Nat.Struct.Mol.Biol., 16, 2009
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452D
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![BU of 452d by Molmil](/molmil-images/mine/452d) | ACRIDINE BINDING TO DNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Thorpe, J.H, Todd, A.K, Cardin, C.J. | Deposit date: | 1999-02-18 | Release date: | 2003-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethlyamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5Br-U)ACG)2 at 1.3-angstrom resolution J.Med.Chem., 42, 1999
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