Author results

6CXZ
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RNA OCTAMER CONTAINING 2'-F, 4'-CALPHA-ME U.
Descriptor:RNA (5'-R(*CP*GP*AP*AP*(U4M)P*UP*CP*G)-3'), CACODYLATE ION, COBALT HEXAMMINE(III)
Authors:Harp, J.M., Egli, M.
Deposit date:2018-04-04
Release date:2018-08-29
Last modified:2018-10-03
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
6CY0
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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:2018-10-03
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
6CY2
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RNA OCTAMER CONTAINING 2'-OME, 4'CALPHA-OME U.
Descriptor:RNA (5'-R(*(CBV)P*GP*AP*AP*(UOA)P*UP*CP*G)-3')
Authors:Harp, J.M., Egli, M.
Deposit date:2018-04-04
Release date:2018-08-29
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.4 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
6CY4
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RNA OCTAMER CONTAINING 2'-OME, 4'- CBETA-OME U.
Descriptor:RNA (5'-R(*(CBV)P*GP*AP*AP*(UOB)P*UP*CP*G)-3')
Authors:Harp, J.M., Egli, M.
Deposit date:2018-04-04
Release date:2018-08-29
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.851 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
6B82
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ZEBRA FISH CYP-450 17A1 MUTANT ABIRATERONE COMPLEX
Descriptor:Cytochrome P450, family 17, subfamily A, ...
Authors:Pallan, P.S., Egli, M.
Deposit date:2017-10-05
Release date:2017-12-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes.
J. Biol. Chem., 293, 2018
6EO6
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X-RAY STRUCTURE OF THE COMPLEX BETWEEN HUMAN ALPHA-THROMBIN AND MODIFIED 15-MER DNA APTAMER CONTAINING 5-(3-(2-(1H-INDOL-3-YL)ACETAMIDE-N-YL)-1-PROPEN-1-YL)-2'-DEOXYURIDINE RESIDUE
Descriptor:GA63A - TBA MODIFIED APTAMER, Prothrombin, POTASSIUM ION, ...
Authors:Dolot, R.M., Nawrot, B., Yang, X.
Deposit date:2017-10-09
Release date:2017-10-25
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
6EO7
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X-RAY STRUCTURE OF THE COMPLEX BETWEEN HUMAN ALPHA-THROMBIN AND MODIFIED 15-MER DNA APTAMER CONTAINING 5-(3-(ACETAMIDE-N-YL)-1-PROPEN-1-YL)-2'-DEOXYURIDINE RESIDUE
Descriptor:GA68B2 - MODIFIED HUMAN THROMBIN BINDING APTAMER, Prothrombin, POTASSIUM ION, ...
Authors:Dolot, R.M., Nawrot, B., Yang, X.
Deposit date:2017-10-09
Release date:2017-10-18
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
5VR4
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RNA OCTAMER CONTAINING 2'-F-4'-OME U.
Descriptor:RNA (5'-R(*CP*GP*AP*AP*(UMO)P*UP*CP*G)-3'), COBALT TETRAAMMINE ION
Authors:Harp, J.M., Egli, M.
Deposit date:2017-05-10
Release date:2017-10-04
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.
J. Am. Chem. Soc., 139, 2017
5VAJ
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BHRNASE H - AMIDE-RNA/DNA COMPLEX
Descriptor:RNA (5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*(URU)P*C)-3'), DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), Ribonuclease H, ...
Authors:Pallan, P.S., Egli, M.
Deposit date:2017-03-27
Release date:2017-09-13
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
5W1Z
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CRYSTAL STRUCTURE OF INOSINE-SUBSTITUTED DECAMER DUPLEX DNA (I4)
Descriptor:DNA (5'-D(*CP*CP*AP*IP*IP*CP*CP*(BRU)P*IP*I)-3'), MAGNESIUM ION, SODIUM ION
Authors:Pallan, P.S., Egli, M.
Deposit date:2017-06-05
Release date:2017-08-30
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Comparative analysis of inosine-substituted duplex DNA by circular dichroism and X-ray crystallography.
J. Biomol. Struct. Dyn., 36, 2018
5W20
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CRYSTAL STRUCTURE OF INOSINE-SUBSTITUTED DUPLEX DNA
Descriptor:DNA (5'-D(*CP*CP*AP*IP*IP*CP*CP*TP*GP*G)-3'), MAGNESIUM ION
Authors:Pallan, P.S., Egli, M.
Deposit date:2017-06-05
Release date:2017-08-23
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Comparative analysis of inosine-substituted duplex DNA by circular dichroism and X-ray crystallography.
J. Biomol. Struct. Dyn., 36, 2018
5V1K
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STRUCTURE OF R-GNA DODECAMER
Descriptor:RNA (5'-R(*CP*GP*CP*GP*AP*AP*(5BU)P*(8RJ)P*AP*GP*CP*G)-3')
Authors:Pallan, P.S., Egli, M.
Deposit date:2017-03-02
Release date:2017-06-21
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 2017
5V1L
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STRUCTURE OF S-GNA DODECAMER
Descriptor:RNA (5'-R(*CP*GP*CP*GP*AP*AP*UP*(ZTH)P*AP*GP*CP*G)-3'), STRONTIUM ION, SPERMINE
Authors:Pallan, P.S., Egli, M.
Deposit date:2017-03-02
Release date:2017-06-14
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 139, 2017
5V2H
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RNA OCTAMER CONTAINING GLYCOL NUCLEIC ACID, SGNT
Descriptor:RNA (5'-R(*(CBV)P*GP*AP*AP*(ZTH)P*UP*CP*G)-3'), COBALT HEXAMMINE(III), MAGNESIUM ION
Authors:Harp, J.M., Egli, M.
Deposit date:2017-03-04
Release date:2017-06-14
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.080013 Å)
Cite:Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 139, 2017
5VBU
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 21A2 HYDROXYPROGESTERONE COMPLEX
Descriptor:Cytochrome P450 21-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, (9beta)-17-hydroxypregn-4-ene-3,20-dione
Authors:Pallan, P.S., Egli, M.
Deposit date:2017-03-30
Release date:2017-05-31
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Functional analysis of human cytochrome P450 21A2 variants involved in congenital adrenal hyperplasia.
J. Biol. Chem., 292, 2017
5F9L
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CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING DAMPNPP ACROSS A DNA TEMPLATE CONTAINING 1,N2-ETHENODEOXYGUANOSINE LESION
Descriptor:DNA polymerase eta, DNA (5'-D(*CP*AP*TP*(GNE)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Patra, A., Egli, M.
Deposit date:2015-12-09
Release date:2016-12-21
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Bypass of the 1, N2-Ethenodeoxyguanosine Lesion by Human DNA Polymerase Eta
To Be Published
5F9N
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CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING DCMPNPP ACROSS A DNA TEMPLATE CONTAINING 1,N2-ETHENODEOXYGUANOSINE LESION
Descriptor:DNA polymerase eta, DNA (5'-D(*CP*AP*TP*(GNE)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Patra, A., Egli, M.
Deposit date:2015-12-09
Release date:2016-12-21
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Bypass of the 1, N2-Ethenodeoxyguanosine Lesion by Human DNA Polymerase Eta
To Be Published
5L1I
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CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING DCTP OPPOSITE O6-METHYL-2'-DEOXYGUANOSINE
Descriptor:DNA polymerase eta, DNA (5'-D(*CP*AP*TP*(6OG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*C)-3'), ...
Authors:Patra, A., Egli, M.
Deposit date:2016-07-29
Release date:2016-10-05
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.78 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
5L1J
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CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING DTMPNPP OPPOSITE O6-METHYL-2'-DEOXYGUANOSINE
Descriptor:DNA polymerase eta, DNA (5'-D(*CP*AP*TP*(6OG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Patra, A., Egli, M.
Deposit date:2016-07-29
Release date:2016-10-05
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.94 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
5L1K
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POSTINSERTION COMPLEX OF HUMAN DNA POLYMERASE ETA BYPASSING AN O6-METHYL-2'-DEOXYGUANOSINE : DC SITE
Descriptor:DNA polymerase eta, DNA (5'-D(*CP*AP*TP*GP*(6OG)P*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*C)-3'), ...
Authors:Patra, A., Egli, M.
Deposit date:2016-07-29
Release date:2016-10-05
Last modified:2017-09-20
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
5L1L
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POSTINSERTION COMPLEX OF HUMAN DNA POLYMERASE ETA BYPASSING AN O6-METHYL-2'-DEOXYGUANOSINE : DT SITE
Descriptor:DNA polymerase eta, DNA (5'-D(*CP*AP*TP*GP*(6OG)P*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Patra, A., Egli, M.
Deposit date:2016-07-29
Release date:2016-10-05
Last modified:2017-09-20
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
5DO5
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CRYSTAL STRUCTURE OF 2'-FLUORO-RNA BEARING A PHOSPHORODITHIOATE
Descriptor:RNA (5'-R(*CP*GP*CP*GP*AP*AP*UP*UP*(AF2)P*(2SG)P*CP*G)-3')
Authors:Pallan, P.S., Egli, M.
Deposit date:2015-09-10
Release date:2016-09-21
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of 2'-Fluoro-RNA bearing a phosphorodithioate
To Be Published
5SWM
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BACILLUS HALODURANS RNASE H MUTANT D132N IN COMPLEX WITH 12-MER FRNA/DNA HYBRID
Descriptor:Ribonuclease H, RNA (12-MER), DNA (12-MER), ...
Authors:Pallan, P.S., Egli, M.
Deposit date:2016-08-08
Release date:2016-09-21
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Limits of RNA 2'-OH Mimicry by Fluorine: Crystal Structure of Bacillus halodurans RNase H Bound to a 2'-FRNA:DNA Hybrid.
Biochemistry, 55, 2016
5DO4
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THROMBIN-RNA APTAMER COMPLEX
Descriptor:Thrombin light chain, Thrombin heavy chain, RNA (25-MER), ...
Authors:Pallan, P.S., Egli, M.
Deposit date:2015-09-10
Release date:2016-09-14
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Evoking picomolar binding in RNA by a single phosphorodithioate linkage.
Nucleic Acids Res., 44, 2016
5JUM
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CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING DCTP OPPOSITE N-(2'-DEOXYGUANOSIN-8- YL)-3-AMINOBENZANTHRONE (C8-DG-ABA)
Descriptor:DNA polymerase eta, DNA (5'-D(*C*AP*TP*(4E9)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), 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:2019-01-16
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