4TRQ
 
 | | Crystal structure of Sac3/Thp1/Sem1 | | Descriptor: | 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ... | | Authors: | Hellerschmied, D, Schneider, S, Kohler, A, Clausen, T. | | Deposit date: | 2014-06-17 | | Release date: | 2015-08-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Nuclear Pore-Associated TREX-2 Complex Employs Mediator to Regulate Gene Expression.
Cell, 162, 2015
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2GVR
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4CH6
 | | Structure of pyrrolysyl-tRNA synthetase in complex with adenylated propargyloxycarbonyl lysine | | Descriptor: | (S)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride, 1,2-ETHANEDIOL, 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 (2.05 Å) | | Cite: | Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins.
Plos One, 9, 2014
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1JPQ
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2NLM
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1FMS
 | | Structure of complex between cyclohexyl-bis-furamidine and d(CGCGAATTCGCG) | | Descriptor: | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)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 (1.9 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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4DRQ
 | | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | | Authors: | Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S. | | Deposit date: | 2012-02-17 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
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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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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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4CH5
 | | Structure of pyrrolysyl-tRNA synthetase in complex with adenylated propionyl lysine | | Descriptor: | (S)-2-amino-6-propionamidohexanoic(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, 1,2-ETHANEDIOL, 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 (2.2 Å) | | Cite: | Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins.
Plos One, 9, 2014
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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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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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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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2B3E
 | | Crystal structure of DB819-D(CGCGAATTCGCG)2 complex. | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE, MAGNESIUM ION | | Authors: | Campbell, N.H, Evans, D.A, Lee, M.P, Parkinson, G.N, Neidle, S. | | Deposit date: | 2005-09-20 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure.
Bioorg.Med.Chem.Lett., 16, 2006
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459D
 | | DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG | | Descriptor: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*(CBR)P*AP*TP*AP*TP*TP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*AP*TP*GP*CP*G)-3') | | Authors: | Aymami, J, Nunn, C.M, Neidle, S. | | Deposit date: | 1999-03-10 | | Release date: | 1999-06-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand.
Nucleic Acids Res., 27, 1999
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4A02
 | | X-ray crystallographic structure of EfCBM33A | | Descriptor: | CHITIN BINDING PROTEIN | | Authors: | Vaaje-Kolstad, G, Bohle, L.A, Gaseidnes, S, Dalhus, B, Bjoras, M, Mathiesen, G, Eijsink, V.G.H. | | Deposit date: | 2011-09-07 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Characterization of the Chitinolytic Machinery of Enterococcus Faecalis V583 and High Resolution Structure of its Oxidative Cbm33 Enzyme
J.Mol.Biol., 416, 2012
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2B0K
 | | Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex. | | Descriptor: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Miao, Y, Lee, M.P, Parkinson, G.N, Batista-Parra, A, Ismail, M.A, Neidle, S, Boykin, D.W, Wilson, W.D. | | Deposit date: | 2005-09-14 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove.
Biochemistry, 44, 2005
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4B9N
 | | Structure of the high fidelity DNA polymerase I correctly bypassing the oxidative formamidopyrimidine-dA DNA lesion. | | Descriptor: | 5'-D(*CP*AP*AP*(FAX)*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*TP*TP*TP*TP)-3', DNA POLYMERASE, ... | | Authors: | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | | Deposit date: | 2012-09-05 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions.
Nat.Chem.Biol., 9, 2013
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4B9L
 | | Structure of the high fidelity DNA polymerase I with the oxidative formamidopyrimidine-dA DNA lesion in the pre-insertion site. | | Descriptor: | 5'-D(*CP*AP*GP*FAX*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*TP)-3', DNA POLYMERASE I, ... | | Authors: | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | | Deposit date: | 2012-09-05 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions.
Nat.Chem.Biol., 9, 2013
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4B9V
 | | Structure of the high fidelity DNA polymerase I with extending from an oxidative formamidopyrimidine-dG DNA lesion -dA basepair. | | Descriptor: | 5'-D(*CP*AP*TP*FOXP*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*TP*AP*AP)-3', DNA POLYMERASE, ... | | Authors: | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | | Deposit date: | 2012-09-06 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions.
Nat.Chem.Biol., 9, 2013
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4B9S
 | | Structure of the high fidelity DNA polymerase I with an oxidative formamidopyrimidine-dG DNA lesion outside of the pre-insertion site. | | Descriptor: | 5'-D(*AP*CP*CP*TP*GP*AP*CP*TP*CP*TP)-3', 5'-D(*CP*AP*TP*FOXP*AP*GP*AP*GP*TP*CP*AP*GP*GP*TP*TP)-3', DNA POLYMERASE, ... | | Authors: | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | | Deposit date: | 2012-09-06 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions.
Nat.Chem.Biol., 9, 2013
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2GWE
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2GWQ
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4C5L
 | | Structure of the pyridoxal kinase from Staphylococcus aureus in complex with pyridoxal | | Descriptor: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol, PHOSPHOMETHYLPYRIMIDINE KINASE, ... | | Authors: | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | | Deposit date: | 2013-09-12 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
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4C5N
 | | Structure of the pyridoxal kinase from Staphylococcus aureus in complex with AMP-PCP and pyridoxal | | Descriptor: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | | Deposit date: | 2013-09-12 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
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