8SV4
 
 | | 7-Deazapurines and 5-Halogenpyrimidine DNA duplex | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, ACETATE ION, ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2023-05-15 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational Morphing by a DNA Analogue Featuring 7-Deazapurines and 5-Halogenpyrimidines and the Origins of Adenine-Tract Geometry.
Biochemistry, 62, 2023
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6VEM
 | | Structure of RNA octamer | | Descriptor: | COBALT HEXAMMINE(III), Modified Octamer RNA | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2020-01-02 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Synthesis, chirality-dependent conformational and biological properties of siRNAs containing 5'-(R)- and 5'-(S)-C-methyl-guanosine.
Nucleic Acids Res., 48, 2020
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2JEG
 | | The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*C BZGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P. | | Deposit date: | 2007-01-17 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing.
J.Biol.Chem., 282, 2007
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2JEJ
 | | The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*CP*G)-3', 5'-D(*TP*CP*AP*C BZGP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P. | | Deposit date: | 2007-01-17 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing.
J.Biol.Chem., 282, 2007
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2JEI
 | | The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*T)-3', 5'-D(*TP*CP*AP*C BZGP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P. | | Deposit date: | 2007-01-17 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing.
J.Biol.Chem., 282, 2007
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2JEF
 | | The Molecular Basis of Selectivity of Nucleotide Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state and X-Ray Crystallography of Correct and Incorrect Pairing | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*BZGP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P. | | Deposit date: | 2007-01-17 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing.
J.Biol.Chem., 282, 2007
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1XUW
 | | Structural rationalization of a large difference in RNA affinity despite a small difference in chemistry between two 2'-O-modified nucleic acid analogs | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(NMT)P*AP*CP*GP*C)-3') | | Authors: | Pattanayek, R, Sethaphong, L, Pan, C, Prhavc, M, Prakash, T.P, Manoharan, M, Egli, M. | | Deposit date: | 2004-10-26 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural rationalization of a large difference in RNA affinity despite a small difference in chemistry between two 2'-O-modified nucleic acid analogues.
J.Am.Chem.Soc., 126, 2004
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1NZG
 | | Crystal structure of A-DNA decamer GCGTA(3ME)ACGC, with a modified 5-methyluridine | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(3ME)P*AP*CP*GP*C)-3' | | Authors: | Prhavc, M, Prakash, T.P, Minasov, G, Egli, M, Manoharan, M. | | Deposit date: | 2003-02-17 | | Release date: | 2003-08-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 2'-O-[2-[2-(N,N-dimethylamino)ethoxy]ethyl] modified oligonucleotides: symbiosis of charge interaction factors and stereoelectronic effects
Org.Lett., 5, 2003
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1XUX
 | | Structural rationalization of a large difference in RNA affinity despite a small difference in chemistry between two 2'-O-modified nucleic acid analogs | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(NMS)P*AP*CP*GP*C)-3') | | Authors: | Pattanayek, R, Sethaphong, L, Pan, C, Prhavc, M, Prakash, T.P, Manoharan, M, Egli, M. | | Deposit date: | 2004-10-26 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural rationalization of a large difference in RNA affinity despite a small difference in chemistry between two 2'-O-modified nucleic acid analogues.
J.Am.Chem.Soc., 126, 2004
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8FTJ
 | | Crystal structure of human NEIL1 (P2G (242K) C(delta)100) glycosylase bound to DNA duplex containing urea | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*TP*CP*CP*AP*UDV*GP*TP*CP*TP*AP*CP)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*AP*TP*GP*GP*AP*CP*GP*G)-3'), ... | | Authors: | Tomar, R, Sharma, P, Harp, J.M, Egli, M, Stone, M.P. | | Deposit date: | 2023-01-12 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Base excision repair of the N-(2-deoxy-d-erythro-pentofuranosyl)-urea lesion by the hNEIL1 glycosylase.
Nucleic Acids Res., 51, 2023
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4G86
 | | Crystal structure of the redox-active cofactor DBMIB bound to the full length circadian clock protein KaiA from Synechococcus elongatus | | Descriptor: | 2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE, Circadian clock protein kaiA, GLYCEROL, ... | | Authors: | Pattanayek, R, Egli, M. | | Deposit date: | 2012-07-21 | | Release date: | 2012-10-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.387 Å) | | Cite: | Crystal Structure of the Redox-Active Cofactor Dibromothymoquinone Bound to Circadian Clock Protein KaiA and Structural Basis for Dibromothymoquinone's Ability to Prevent Stimulation of KaiC Phosphorylation by KaiA.
Biochemistry, 51, 2012
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4HQI
 | | Structure of O6-Benzyl-2'-deoxyguanosine opposite perimidinone-derived synthetic nucleoside in DNA duplex | | Descriptor: | SPERMINE, STRONTIUM ION, Short modified nucleic acids | | Authors: | Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P. | | Deposit date: | 2012-10-25 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.
Nucleic Acids Res., 41, 2013
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4HQH
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5JUM
 | | Crystal Structure of Human DNA Polymerase Eta Inserting dCTP Opposite N-(2'-deoxyguanosin-8- yl)-3-aminobenzanthrone (C8-dG-ABA) | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | | Authors: | Patra, A, Politica, D.A, Stone, M.P, Egli, M. | | Deposit date: | 2016-05-10 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanism of Error-Free Bypass of the Environmental Carcinogen N-(2'-Deoxyguanosin-8-yl)-3-aminobenzanthrone Adduct by Human DNA Polymerase eta.
Chembiochem, 17, 2016
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8CTZ
 | | 12-mer DNA structure of ExBIM & O6Me-G bound to RNase-H | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*CP*GP*CP*(6OG)P*AP*AP*TP*TP*(OWR)P*GP*CP*G)-3'), ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2022-05-16 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA.
Chem.Res.Toxicol., 35, 2022
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8CTY
 | | 12-mer DNA structure of ExBIM bound to RNase-H | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2022-05-16 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA.
Chem.Res.Toxicol., 35, 2022
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8CU0
 | | 12-mer DNA structure of ExBIM bound to RNaseH -modified DDD | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*(OWR)P*CP*CP*G)-3'), GLYCEROL, ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2022-05-16 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA.
Chem.Res.Toxicol., 35, 2022
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5L1I
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5L1L
 | | PostInsertion complex of Human DNA Polymerase Eta bypassing an O6-Methyl-2'-deoxyguanosine : dT site | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*(6OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Patra, A, Egli, M. | | Deposit date: | 2016-07-29 | | Release date: | 2016-10-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Mechanisms of Insertion of dCTP and dTTP Opposite the DNA Lesion O6-Methyl-2'-deoxyguanosine by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
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5L1K
 | | PostInsertion complex of Human DNA Polymerase Eta bypassing an O6-Methyl-2'-deoxyguanosine : dC site | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*C)-3'), DNA (5'-D(*CP*AP*TP*GP*(6OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Patra, A, Egli, M. | | Deposit date: | 2016-07-29 | | Release date: | 2016-10-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Mechanisms of Insertion of dCTP and dTTP Opposite the DNA Lesion O6-Methyl-2'-deoxyguanosine by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
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5L1J
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1P4F
 | | DEATH ASSOCIATED PROTEIN KINASE CATALYTIC DOMAIN WITH BOUND INHIBITOR FRAGMENT | | Descriptor: | 5,6-Dihydro-benzo[H]cinnolin-3-ylamine, Death-associated protein kinase 1 | | Authors: | Velentza, A.V, Wainwright, M.S, Zasadzki, M, Mirzoeva, S, Haiech, J, Focia, P.J, Egli, M, Watterson, D.M. | | Deposit date: | 2003-04-23 | | Release date: | 2004-09-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An aminopyridazine-based inhibitor of a pro-apoptotic protein kinase attenuates hypoxia-ischemia induced acute brain injury.
Bioorg.Med.Chem.Lett., 13, 2003
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2AXB
 | | Crystal Structure Analysis Of A 2-O-[2-(methoxy)ethyl]-2-thiothymidine Modified Oligodeoxynucleotide Duplex | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(S2M)P*AP*CP*GP*C)-3') | | Authors: | Diop-Frimpong, B, Prakash, T.P, Rajeev, K.G, Manoharan, M, Egli, M. | | Deposit date: | 2005-09-04 | | Release date: | 2005-11-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Stabilizing contributions of sulfur-modified nucleotides: crystal structure of a DNA duplex with 2'-O-[2-(methoxy)ethyl]-2-thiothymidines.
Nucleic Acids Res., 33, 2005
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2M11
 | | Structure of perimidinone-derived synthetic nucleoside paired with guanine in DNA duplex | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(D3N)P*GP*CP*G)-3') | | Authors: | Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P. | | Deposit date: | 2012-11-09 | | Release date: | 2013-06-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.
Nucleic Acids Res., 41, 2013
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2XCA
 | | TERNARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE, 7,8- DIHYDRO-8-OXODEOXYGUANINE MODIFIED DNA AND dGTP - MAGNESIUM FORM | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*DOC)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP*CP*TP*TP*CP* CP*CP*CP*C)-3', ... | | Authors: | Irimia, A, Egli, M. | | Deposit date: | 2010-04-20 | | Release date: | 2010-09-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Metal Ion Dependence of the Active Site Conformation of the Trans-Lesion DNA Polymerase Dpo4 from Sulfolobus Solfataricus
Acta Crystallogr.,Sect.F, 66, 2010
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