1CN4
 
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4CH3
 | | Structure of pyrrolysyl-tRNA synthetase in complex with adenylated butyryl lysine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-({[(2R)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine, MAGNESIUM ION, ... | | Authors: | Fluegel, V, Vrabel, M, Schneider, S. | | Deposit date: | 2013-11-28 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins.
Plos One, 9, 2014
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360D
 | | STRUCTURE OF 2,5-BIS{[4-(N-ETHYLAMIDINO)PHENYL]}FURAN COMPLEXED TO 5'-D(CPGPCPGPAPAPTPTPCPGPCPG)-3'. A MINOR GROOVE DRUG COMPLEX, SHOWING PATTERNS OF GROOVE HYDRATION | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium | | Authors: | Guerri, A, Simpson, I.J, Neidle, S. | | Deposit date: | 1997-10-29 | | Release date: | 1998-07-16 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Visualisation of extensive water ribbons and networks in a DNA minor-groove drug complex.
Nucleic Acids Res., 26, 1998
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6H07
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Nowotny, P, Biggel, P, Schneider, S, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2018-07-06 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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1QBG
 | | CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | Authors: | Skelly, J.V, Sanderson, M.R, Suter, D.A, Baumann, U, Gregory, D.S, Bennett, M, Hobbs, S.M, Neidle, S. | | Deposit date: | 1999-04-20 | | Release date: | 2000-04-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954).
J.Med.Chem., 42, 1999
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3OIE
 | | Crystal structure of the DB1880-D(CGCGAATTCGCG)2 complex | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide | | Authors: | Lin, S, Neidle, S, Campbell, N. | | Deposit date: | 2010-08-19 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the DB1880-D(CGCGAATTCGCG)2 complex
To be Published
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6HLF
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant - K32A | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Nowotny, P, Schneider, S, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2018-09-11 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rational Crystal Contact Engineering of Lactobacillus brevis Alcohol Dehydrogenase To Promote Technical Protein Crystallization
Cryst.Growth Des., 2019
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3QCR
 | | Incomplete structural model of a human telomeric DNA quadruplex-acridine complex. | | Descriptor: | Human telomeric repeat deoxyribonucleic acid, N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION | | Authors: | Collie, G.W, Neidle, S, Parkinson, G.N. | | Deposit date: | 2011-01-17 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of telomeric RNA quadruplex-acridine ligand recognition.
J.Am.Chem.Soc., 133, 2011
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2WQ7
 | | Structure of the 6-4 photolyase of D. melanogaster in complex with the non-natural N4-methyl T(6-4)C lesion | | Descriptor: | 5'-D(*AP*CP*AP*GP*CP*GP*GP*TDYP*ZP*GP* CP*AP*AP*GP*T)-3', 5'-D(*TP*AP*CP*CP*TP*GP*CP*GP*AP*CP* CP*GP*CP*TP*G)-3', FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Glas, A.F, Kaya, E, Schneider, S, Maul, M.J, Carell, T. | | Deposit date: | 2009-08-14 | | Release date: | 2010-02-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | DNA (6-4) Photolyases Reduce Dewar Isomers for Isomerization Into (6-4) Lesions.
J.Am.Chem.Soc., 132, 2010
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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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166D
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2WQ6
 | | Structure of the 6-4 photolyase of D. melanogaster in complex with the non-natural N4-methyl T(Dewar)C lesion | | Descriptor: | 5'-D(*AP*CP*AP*GP*CP*GP*GP*TDYP*CDWP*GP* CP*AP*AP*GP*T)-3', 5'-D(*TP*AP*CP*CP*TP*GP*CP*GP*AP*CP* CP*GP*CP*TP*G)-3', FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Glas, A.F, Kaya, E, Schneider, S, Maul, M.J, Carell, T. | | Deposit date: | 2009-08-14 | | Release date: | 2010-02-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA (6-4) Photolyases Reduce Dewar Isomers for Isomerization Into (6-4) Lesions
J.Am.Chem.Soc., 132, 2010
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2GVR
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2GYX
 | | Crystal structure of DB884- D(CGCGAATTCGCG)2 complex at 1.86 A resolution. | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE | | Authors: | Lee, M.P.H, Neidle, S. | | Deposit date: | 2006-05-10 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Induced fit conformational changes of a "reversed amidine" heterocycle: optimized interactions in a DNA minor groove complex.
J.Am.Chem.Soc., 129, 2007
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2GW0
 | | A D(TGGGGT)- sodium and calcium complex. | | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', CALCIUM ION, SODIUM ION | | Authors: | Lee, M.P.H, Parkinson, G.N, Neidle, S. | | Deposit date: | 2006-05-03 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Observation of the coexistence of sodium and calcium ions in a DNA G-quadruplex ion channel.
J.Am.Chem.Soc., 129, 2007
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5DR5
 | | Crystal structure of the sclerostin-neutralizing Fab AbD09097 | | Descriptor: | AbD09097 Fab heavy chain, AbD09097 Fab light chain | | Authors: | Mueller, T.D, Boschert, V, Weidauer, S.E, Muth, E.M, Knappik, A, Frisch, C. | | Deposit date: | 2015-09-15 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Generation and Affinity Maturation of Neutralizing Anti-Sclerostin Antibodies
to be published
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303D
 | | META-HYDROXY ANALOGUE OF HOECHST 33258 ('HYDROXYL OUT' CONFORMATION) BOUND TO D(CGCGAATTCGCG)2 | | Descriptor: | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Clark, G.R, Squire, C.J, Gray, E.J, Leupin, W, Neidle, S. | | Deposit date: | 1996-06-26 | | Release date: | 1997-01-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Designer DNA-binding drugs: the crystal structure of a meta-hydroxy analogue of Hoechst 33258 bound to d(CGCGAATTCGCG)2.
Nucleic Acids Res., 24, 1996
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2KQH
 | | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics | | Descriptor: | 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*GP*CP*GP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3', POTASSIUM ION | | Authors: | Hsu, S.-T.D, Varnai, P, Bugaut, A, Reszka, A.P, Neidle, S, Balasubramanian, S. | | Deposit date: | 2009-11-05 | | Release date: | 2009-11-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics
J.Am.Chem.Soc., 131, 2009
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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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2KQG
 | | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics | | Descriptor: | 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*AP*CP*GP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3', POTASSIUM ION | | Authors: | Hsu, S.-T.D, Varnai, P, Bugaut, A, Reszka, A.P, Neidle, S, Balasubramanian, S. | | Deposit date: | 2009-11-05 | | Release date: | 2009-11-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics
J.Am.Chem.Soc., 131, 2009
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2I2I
 | | Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex. | | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Lee, M.P.H, Neidle, S. | | Deposit date: | 2006-08-16 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex.
To be Published
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3OJS
 | | Snapshots of the large fragment of DNA polymerase I from Thermus Aquaticus processing C5 modified thymidines | | Descriptor: | 2'-deoxy-5-[9-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-18-ethyl-5,8,14,17-tetraoxo-4,9,13,18-tetraazaicos-1-yn-1-yl]uridine 5'-(tetrahydrogen triphosphate), ACETATE ION, DNA (5'-D(*AP*AP*AP*AP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | | Authors: | Marx, A, Diederichs, K, Obeid, S. | | Deposit date: | 2010-08-23 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the synthesis of nucleobase modified DNA by Thermus aquaticus DNA polymerase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3CVV
 | | Drosophila melanogaster (6-4) photolyase bound to ds DNA with a T-T (6-4) photolesion and F0 cofactor | | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), ... | | Authors: | Glas, A.F, Maul, M.J, Cryle, M.J, Barends, T.R.M, Schneider, S, Kaya, E, Schlichting, I, Carell, T. | | Deposit date: | 2008-04-20 | | Release date: | 2009-06-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The archaeal cofactor F0 is a light-harvesting antenna chromophore in eukaryotes.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3NZ7
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2NLM
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