5DEK
| RNA octamer containing dT | Descriptor: | COBALT HEXAMMINE(III), RNA oligonucleotide containing dT | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2015-08-25 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.993 Å) | Cite: | Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides. J.Org.Chem., 81, 2016
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1U9I
| Crystal Structure of Circadian Clock Protein KaiC with Phosphorylation Sites | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, KaiC, MAGNESIUM ION | Authors: | Xu, Y, Mori, T, Pattanayek, R, Pattanayek, S, Egli, M, Johnson, C.H. | Deposit date: | 2004-08-09 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of key phosphorylation sites in the circadian clock protein KaiC by crystallographic and mutagenetic analyses PROC.NATL.ACAD.SCI.USA, 101, 2004
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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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4PWM
| Crystal structure of Dickerson Drew Dodecamer with 5-carboxycytosine | Descriptor: | 5'-[CGCGAATT(5CC)GCG]-3' | Authors: | Szulik, M.W, Pallan, P, Banerjee, S, Voehler, M, Egli, M, Stone, M.P. | Deposit date: | 2014-03-20 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Differential stabilities and sequence-dependent base pair opening dynamics of watson-crick base pairs with 5-hydroxymethylcytosine, 5-formylcytosine, or 5-carboxylcytosine. Biochemistry, 54, 2015
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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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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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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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3OZ5
| S-Methyl Carbocyclic LNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(UMX)P*AP*CP*GP*C)-3'), SPERMINE | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA. J.Am.Chem.Soc., 132, 2010
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3OZ3
| Vinyl Carbocyclic LNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*(UVX)P*AP*CP*GP*C)-3') | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA. J.Am.Chem.Soc., 132, 2010
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3OZ4
| R-Methyl Carbocyclic LNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(URX)P*AP*CP*GP*C)-3') | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA. J.Am.Chem.Soc., 132, 2010
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6XHC
| Structure of glycinyl 5'-O-adenosine phosphoramidate | Descriptor: | 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]ethanoic acid, Ribonuclease pancreatic | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2020-06-18 | Release date: | 2020-12-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 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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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: | 2024-04-03 | 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: | 2023-10-18 | 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: | 2023-10-18 | 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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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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4QC7
| Dodecamer structure of 5-formylcytosine containing DNA | Descriptor: | short DNA strands | Authors: | Szulik, M.W, Pallan, P, Egli, M, Stone, M.P. | Deposit date: | 2014-05-09 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Differential stabilities and sequence-dependent base pair opening dynamics of watson-crick base pairs with 5-hydroxymethylcytosine, 5-formylcytosine, or 5-carboxylcytosine. Biochemistry, 54, 2015
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3S1A
| Crystal structure of the phosphorylation-site double mutant S431E/T432E of the KaiC circadian clock protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION | Authors: | Pattanayek, R, Williams, D.W, Rossi, G, Weigand, S, Mori, T, Johnson, C.H, Stewart, P.L, Egli, M. | Deposit date: | 2011-05-14 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Combined SAXS/EM Based Models of the S. elongatus Post-Translational Circadian Oscillator and its Interactions with the Output His-Kinase SasA. Plos One, 6, 2011
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6B82
| Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex | Descriptor: | ACETATE ION, Abiraterone, CHLORIDE ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2017-10-05 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | 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
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3UKC
| (S)-cEt-BNA decamer structure | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(1TL)P*AP*CP*GP*C)-3') | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2011-11-09 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs. Chem.Commun.(Camb.), 48, 2012
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3UKE
| (S)-cMOE-BNA decamer structure | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(CSM)P*AP*CP*GP*C)-3') | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2011-11-09 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs. Chem.Commun.(Camb.), 48, 2012
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