2O3M
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![BU of 2o3m by Molmil](/molmil-images/mine/2o3m) | Monomeric G-DNA tetraplex from human C-kit promoter | Descriptor: | 5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3' | Authors: | Phan, A.T, Kuryavyi, V.V, Burge, S, Neidle, S, Patel, D.J. | Deposit date: | 2006-12-01 | Release date: | 2007-05-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure of an unprecedented G-quadruplex scaffold in the human c-kit promoter. J.Am.Chem.Soc., 129, 2007
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2WTF
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![BU of 2wtf by Molmil](/molmil-images/mine/2wtf) | DNA polymerase eta in complex with the cis-diammineplatinum (II) 1,3- GTG intrastrand cross-link | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*TP*GP*GP*TP*GP*AP*GP*CP)-3', 5'-D(*TP*CP*TP*TP*CP*TP*GP*TP*GP*CP *TP*CP*AP*CP*CP*AP*CP)-3', ... | Authors: | Reissner, T, Schneider, S, Ziv, O, Schorr, S, Livneh, Z, Carell, T. | Deposit date: | 2009-09-16 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of a Cisplatin-(1,3-Gtg) Cross-Link within DNA Polymerase Eta. Angew.Chem.Int.Ed.Engl., 49, 2010
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227D
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![BU of 227d by Molmil](/molmil-images/mine/227d) | A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY | Descriptor: | 2,5-BIS(4-GUANYLPHENYL)FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Laughton, C.A, Tanious, F, Nunn, C.M, Boykin, D.W, Wilson, W.D, Neidle, S. | Deposit date: | 1995-08-08 | Release date: | 1995-11-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity. Biochemistry, 35, 1996
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289D
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![BU of 289d by Molmil](/molmil-images/mine/289d) | TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | Descriptor: | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN, DNA (5'-R(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S. | Deposit date: | 1996-10-10 | Release date: | 1996-12-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2. J.Med.Chem., 39, 1996
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232D
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![BU of 232d by Molmil](/molmil-images/mine/232d) | |
263D
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![BU of 263d by Molmil](/molmil-images/mine/263d) | ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX | Descriptor: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3') | Authors: | Clark, G.R, Gray, E.J, Neidle, S, Li, Y.-H, Leupin, W. | Deposit date: | 1996-09-27 | Release date: | 1996-10-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex. Biochemistry, 35, 1996
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298D
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![BU of 298d by Molmil](/molmil-images/mine/298d) | TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | Descriptor: | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S. | Deposit date: | 1996-10-10 | Release date: | 1996-12-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2. J.Med.Chem., 39, 1996
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109D
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![BU of 109d by Molmil](/molmil-images/mine/109d) | VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2 | Descriptor: | 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Czarny, A, Boykin, D.W, Wood, A.A, Nunn, C.M, Neidle, S, Zhao, M, Wilson, W.D. | Deposit date: | 1995-02-15 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2. Nucleic Acids Res., 23, 1995
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7T39
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![BU of 7t39 by Molmil](/molmil-images/mine/7t39) | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | Descriptor: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9 | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-12-07 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor To Be Published
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1JPQ
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![BU of 1jpq by Molmil](/molmil-images/mine/1jpq) | |
1VZK
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![BU of 1vzk by Molmil](/molmil-images/mine/1vzk) | A Thiophene Based Diamidine Forms a "Super" AT Binding Minor Groove Agent | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP *CP*G)-3', MAGNESIUM ION | Authors: | Mallena, S, Lee, M.P.H, Bailly, C, Neidle, S, Kumar, A, Boykin, D.W, Wilson, W.D. | Deposit date: | 2004-05-20 | Release date: | 2004-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Thiophene-Based Diamidine Forms a "Super" at Binding Minor Groove Agent J.Am.Chem.Soc., 142, 2004
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7OS0
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![BU of 7os0 by Molmil](/molmil-images/mine/7os0) | |
1D63
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![BU of 1d63 by Molmil](/molmil-images/mine/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
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4Z3X
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![BU of 4z3x by Molmil](/molmil-images/mine/4z3x) | Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1-Monoenoyl-CoA | Descriptor: | 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ... | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
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8XPA
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![BU of 8xpa by Molmil](/molmil-images/mine/8xpa) | Crystal structure of d(ACGmCCGT/ACGGCGT) | Descriptor: | DNA (5'-D(P*AP*CP*GP*(5CM)P*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*GP*CP*GP*T)-3'), MAGNESIUM ION, ... | Authors: | Hou, M.H, Lin, S.M, Neidle, S. | Deposit date: | 2024-01-03 | Release date: | 2024-05-29 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of water-mediated cis Watson-Crick/Hoogsteen base-pair formation in non-CpG methylation. Nucleic Acids Res., 2024
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6WGI
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![BU of 6wgi by Molmil](/molmil-images/mine/6wgi) | Atomic model of the mutant OCCM (ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) loaded on DNA at 10.5 A resolution | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (34-MER), ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WGG
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![BU of 6wgg by Molmil](/molmil-images/mine/6wgg) | Atomic model of pre-insertion mutant OCCM-DNA complex(ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (41-MER), ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (8.1 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WGC
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![BU of 6wgc by Molmil](/molmil-images/mine/6wgc) | Atomic model of semi-attached mutant OCCM-DNA complex (ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | Descriptor: | Cell division control protein 6, DNA (41-MER), DNA replication licensing factor MCM3, ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
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4Z40
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![BU of 4z40 by Molmil](/molmil-images/mine/4z40) | Active site complex BamBC of Benzoyl Coenzyme A reductase as isolated | Descriptor: | Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ... | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
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4Z3Z
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![BU of 4z3z by Molmil](/molmil-images/mine/4z3z) | Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Zinc | Descriptor: | Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ... | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.666 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
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4Z3Y
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![BU of 4z3y by Molmil](/molmil-images/mine/4z3y) | Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Benzoyl-CoA | Descriptor: | Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ... | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.359 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
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1JRN
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![BU of 1jrn by Molmil](/molmil-images/mine/1jrn) | |
1FTD
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![BU of 1ftd by Molmil](/molmil-images/mine/1ftd) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, [3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE | Authors: | Mann, J, Baron, A, Opoku-Boahen, Y, Johansson, E, Parkinson, G, Kelland, L.R, Neidle, S. | Deposit date: | 2000-09-12 | Release date: | 2001-02-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity. J.Med.Chem., 44, 2001
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1FMQ
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![BU of 1fmq by Molmil](/molmil-images/mine/1fmq) | Cyclo-butyl-bis-furamidine complexed with dCGCGAATTCGCG | Descriptor: | 2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. | Deposit date: | 2000-08-18 | Release date: | 2000-09-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans Bioorg.Med.Chem.Lett., 10, 2000
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5C7X
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![BU of 5c7x by Molmil](/molmil-images/mine/5c7x) | Crystal structure of MOR04357, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, ... | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | Deposit date: | 2015-06-25 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody. Mabs, 8, 2016
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