388D
 
 | | CRYSTAL STRUCTURE OF B-DNA WITH INCORPORATED 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINES: IMPLICATIONS OF CONFORMATIONAL PREORGANIZATION FOR DUPLEX STABILITY | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*(TAF)P*(TAF)P*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Berger, I, Tereshko, V, Ikeda, H, Marquez, V.E, Egli, M. | | Deposit date: | 1998-04-20 | | Release date: | 1998-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of B-DNA with incorporated 2'-deoxy-2'-fluoro-arabino-furanosyl thymines: implications of conformational preorganization for duplex stability.
Nucleic Acids Res., 26, 1998
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3CJZ
 | | Effects of N2,N2-dimethylguanosine on RNA structure and stability: crystal structure of an RNA duplex with tandem m22G:A pairs | | Descriptor: | RNA (5'-R(*GP*GP*AP*CP*GP*(M2G)P*AP*CP*GP*UP*CP*CP*U)-3') | | Authors: | Pallan, P.S, Kreutz, C, Bosio, S, Micura, R, Egli, M. | | Deposit date: | 2008-03-14 | | Release date: | 2008-10-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Effects of N2,N2-dimethylguanosine on RNA structure and stability: crystal structure of an RNA duplex with tandem m2 2G:A pairs.
Rna, 14, 2008
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3DVL
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7JJE
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7JJF
 | | Sarcin-ricin loop with modified residue. | | Descriptor: | MAGNESIUM ION, RNA/DNA (27-mer) | | Authors: | Harp, J.M, Pallan, P.S, Egli, M. | | Deposit date: | 2020-07-25 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
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7JJD
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389D
 | | CRYSTAL STRUCTURE OF B-DNA WITH INCORPORATED 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINES: IMPLICATIONS OF CONFORMATIONAL PREORGANIZATION FOR DUPLEX STABILITY | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*(TAF)P*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Berger, I, Tereshko, V, Ikeda, H, Marquez, V.E, Egli, M. | | Deposit date: | 1998-04-20 | | Release date: | 1998-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of B-DNA with incorporated 2'-deoxy-2'-fluoro-arabino-furanosyl thymines: implications of conformational preorganization for duplex stability.
Nucleic Acids Res., 26, 1998
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7JY2
 | | Z-DNA joint X-ray/Neutron | | Descriptor: | Chains: A,B | | Authors: | Harp, J.M, Coates, L, Egli, M. | | Deposit date: | 2020-08-28 | | Release date: | 2021-04-28 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | | Cite: | Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
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1MLX
 | | Crystal Structure Analysis of a 2'-O-[2-(Methylthio)-ethyl]-Modified Oligodeoxynucleotide Duplex | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*SMTP*AP*CP*GP*C)-3' | | Authors: | Prakash, T.P, Manoharan, M, Kawasaki, A.M, Fraser, A.S, Lesnik, E.A, Sioufi, N, Leeds, J.M, Teplova, M, Egli, M. | | Deposit date: | 2002-08-31 | | Release date: | 2002-12-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | 2'-O-[2-(Methylthio)ethyl]-Modified Oligonucleotide: An Analogue of 2'-O-[2-(Methoxy)-ethyl]-Modified
Oligonucleotide with Improved Protein Binding Properties and High Binding Affinity to Target RNA
Biochemistry, 41, 2002
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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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2QEG
 | | B-DNA with 7-deaza-dG modification | | Descriptor: | DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DTP*DCP*(7GU)P*DCP*DG)-3') | | Authors: | Wang, F, Li, F, Ganguly, M, Marky, L.A, Gold, B, Egli, M, Stone, M.P. | | Deposit date: | 2007-06-25 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A bridging water anchors the tethered 5-(3-aminopropyl)-2'-deoxyuridine amine in the DNA major groove proximate to the N+2 C.G base pair: implications for formation of interstrand 5'-GNC-3' cross-links by nitrogen mustards.
Biochemistry, 47, 2008
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2QEF
 | | X-ray structure of 7-deaza-dG and Z3dU modified duplex CGCGAATXCZCG | | Descriptor: | DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*(ZDU)P*DCP*(7GU)P*DCP*DG)-3') | | Authors: | Wang, F, Li, F, Ganguly, M, Marky, L.A, Gold, B, Egli, M, Stone, M.P. | | Deposit date: | 2007-06-25 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A bridging water anchors the tethered 5-(3-aminopropyl)-2'-deoxyuridine amine in the DNA major groove proximate to the N+2 C.G base pair: implications for formation of interstrand 5'-GNC-3' cross-links by nitrogen mustards.
Biochemistry, 47, 2008
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1MA8
 | | A-DNA decamer GCGTA(UMS)ACGC with incorporated 2'-methylseleno-uridine | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*UMSP*AP*CP*GP*C)-3' | | Authors: | Teplova, M, Wilds, C.J, Wawrzak, Z, Tereshko, V, Du, Q, Carrasco, N, Huang, Z, Egli, M. | | Deposit date: | 2002-08-01 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Covalent incorporation of selenium into oligonucleotides for X-ray crystal structure determination via MAD: proof of principle
BIOCHIMIE, 84, 2002
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5SWM
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5VAJ
 | | BhRNase H - amide-RNA/DNA complex | | Descriptor: | ACETATE ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), GLYCEROL, ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2017-03-27 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Amide linkages mimic phosphates in RNA interactions with proteins and are well tolerated in the guide strand of short interfering RNAs.
Nucleic Acids Res., 45, 2017
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1KGK
 | | Direct Observation of a Cytosine Analog that Forms Five Hydrogen Bonds to Guanosine; Guanyl G-Clamp | | Descriptor: | 5'-D(*GP*(GCK)P*GP*TP*AP*TP*AP*CP*GP*C)-3', METHOXY-ETHOXYL, SPERMINE (FULLY PROTONATED FORM) | | Authors: | Wilds, C.J, Maier, M.A, Tereshko, V, Manoharan, M, Egli, M. | | Deposit date: | 2001-11-27 | | Release date: | 2001-12-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Direct Observation of a Cytosine Analogue that Forms Five Hydrogen Bonds to Guanosine: Guanidino G-Clamp
Angew.Chem.Int.Ed.Engl., 41, 2002
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5VBU
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6CXZ
 | | RNA octamer containing 2'-F, 4'-Calpha-Me U. | | Descriptor: | CACODYLATE ION, COBALT HEXAMMINE(III), RNA (5'-R(*CP*GP*AP*AP*(U4M)P*UP*CP*G)-3') | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2018-04-04 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity.
Nucleic Acids Res., 46, 2018
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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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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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6CY0
 | | RNA octamer containing 2'-F, 4'-Cbeta-OMe U. | | Descriptor: | RNA (5'-R(*(CBV)P*GP*AP*AP*(UFB)P*UP*CP*G)-3') | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2018-04-04 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity.
Nucleic Acids Res., 46, 2018
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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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6XHE
 | | Structure of beta-prolinyl 5'-O-adenosine phosphoramidate | | Descriptor: | 5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine, ADENOSINE MONOPHOSPHATE, Ribonuclease pancreatic | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-03-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6XHD
 | | Structure of Prolinyl-5'-O-adenosine phosphoramidate | | Descriptor: | (2~{S})-1-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-03-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6XHF
 | | Structure of Phenylalanyl-5'-O-adenosine phosphoramidate | | Descriptor: | (2~{S})-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid, CHLORIDE ION, Ribonuclease pancreatic | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-03-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid.
Angew.Chem.Int.Ed.Engl., 59, 2020
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