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5DEK
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BU of 5dek by Molmil
RNA octamer containing dT
分子名称: COBALT HEXAMMINE(III), RNA oligonucleotide containing dT
著者Harp, J.M, Egli, M.
登録日2015-08-25
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides.
J.Org.Chem., 81, 2016
1U9I
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BU of 1u9i by Molmil
Crystal Structure of Circadian Clock Protein KaiC with Phosphorylation Sites
分子名称: ADENOSINE-5'-TRIPHOSPHATE, KaiC, MAGNESIUM ION
著者Xu, Y, Mori, T, Pattanayek, R, Pattanayek, S, Egli, M, Johnson, C.H.
登録日2004-08-09
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of key phosphorylation sites in the circadian clock protein KaiC by crystallographic and mutagenetic analyses
PROC.NATL.ACAD.SCI.USA, 101, 2004
2AXB
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BU of 2axb by Molmil
Crystal Structure Analysis Of A 2-O-[2-(methoxy)ethyl]-2-thiothymidine Modified Oligodeoxynucleotide Duplex
分子名称: 5'-D(*GP*CP*GP*TP*AP*(S2M)P*AP*CP*GP*C)-3')
著者Diop-Frimpong, B, Prakash, T.P, Rajeev, K.G, Manoharan, M, Egli, M.
登録日2005-09-04
公開日2005-11-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献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
4PWM
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BU of 4pwm by Molmil
Crystal structure of Dickerson Drew Dodecamer with 5-carboxycytosine
分子名称: 5'-[CGCGAATT(5CC)GCG]-3'
著者Szulik, M.W, Pallan, P, Banerjee, S, Voehler, M, Egli, M, Stone, M.P.
登録日2014-03-20
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
7JJE
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BU of 7jje by Molmil
Sarcin-ricin loop with guanosine dithiophosphate residue.
分子名称: RNA (27-MER)
著者Pallan, P.S, Egli, M, Harp, J.M.
登録日2020-07-25
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
7JJF
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BU of 7jjf by Molmil
Sarcin-ricin loop with modified residue.
分子名称: MAGNESIUM ION, RNA/DNA (27-mer)
著者Harp, J.M, Pallan, P.S, Egli, M.
登録日2020-07-25
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
7JJD
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BU of 7jjd by Molmil
Sarcin-ricin loop with guanosine monothiophosphate residue.
分子名称: RNA (27-MER)
著者Pallan, P.S, Egli, M, Harp, J.M.
登録日2020-07-25
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
7JY2
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BU of 7jy2 by Molmil
Z-DNA joint X-ray/Neutron
分子名称: Chains: A,B
著者Harp, J.M, Coates, L, Egli, M.
登録日2020-08-28
公開日2021-04-28
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
5JUM
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BU of 5jum by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dCTP Opposite N-(2'-deoxyguanosin-8- yl)-3-aminobenzanthrone (C8-dG-ABA)
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
著者Patra, A, Politica, D.A, Stone, M.P, Egli, M.
登録日2016-05-10
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
3OZ5
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BU of 3oz5 by Molmil
S-Methyl Carbocyclic LNA
分子名称: DNA (5'-D(*GP*CP*GP*TP*AP*(UMX)P*AP*CP*GP*C)-3'), SPERMINE
著者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.
登録日2010-09-24
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA.
J.Am.Chem.Soc., 132, 2010
3OZ3
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BU of 3oz3 by Molmil
Vinyl Carbocyclic LNA
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*(UVX)P*AP*CP*GP*C)-3')
著者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.
登録日2010-09-24
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA.
J.Am.Chem.Soc., 132, 2010
3OZ4
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BU of 3oz4 by Molmil
R-Methyl Carbocyclic LNA
分子名称: DNA (5'-D(*GP*CP*GP*TP*AP*(URX)P*AP*CP*GP*C)-3')
著者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.
登録日2010-09-24
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA.
J.Am.Chem.Soc., 132, 2010
6XHC
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BU of 6xhc by Molmil
Structure of glycinyl 5'-O-adenosine phosphoramidate
分子名称: 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
著者Pallan, P.S, Egli, M.
登録日2020-06-18
公開日2020-12-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid.
Angew.Chem.Int.Ed.Engl., 59, 2020
6XHE
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BU of 6xhe by Molmil
Structure of beta-prolinyl 5'-O-adenosine phosphoramidate
分子名称: 5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine, ADENOSINE MONOPHOSPHATE, Ribonuclease pancreatic
著者Pallan, P.S, Egli, M.
登録日2020-06-18
公開日2021-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid.
Angew.Chem.Int.Ed.Engl., 59, 2020
6XHD
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BU of 6xhd by Molmil
Structure of Prolinyl-5'-O-adenosine phosphoramidate
分子名称: (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, ...
著者Pallan, P.S, Egli, M.
登録日2020-06-18
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid.
Angew.Chem.Int.Ed.Engl., 59, 2020
6XHF
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BU of 6xhf by Molmil
Structure of Phenylalanyl-5'-O-adenosine phosphoramidate
分子名称: (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
著者Pallan, P.S, Egli, M.
登録日2020-06-18
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid.
Angew.Chem.Int.Ed.Engl., 59, 2020
5L1I
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BU of 5l1i by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dCTP Opposite O6-Methyl-2'-deoxyguanosine
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*C)-3'), ...
著者Patra, A, Egli, M.
登録日2016-07-29
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献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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BU of 5l1l by Molmil
PostInsertion complex of Human DNA Polymerase Eta bypassing an O6-Methyl-2'-deoxyguanosine : dT site
分子名称: 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'), ...
著者Patra, A, Egli, M.
登録日2016-07-29
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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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BU of 5l1k by Molmil
PostInsertion complex of Human DNA Polymerase Eta bypassing an O6-Methyl-2'-deoxyguanosine : dC site
分子名称: 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'), ...
著者Patra, A, Egli, M.
登録日2016-07-29
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献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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BU of 5l1j by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dTMPNPP Opposite O6-Methyl-2'-deoxyguanosine
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(6OG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
著者Patra, A, Egli, M.
登録日2016-07-29
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
4QC7
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BU of 4qc7 by Molmil
Dodecamer structure of 5-formylcytosine containing DNA
分子名称: short DNA strands
著者Szulik, M.W, Pallan, P, Egli, M, Stone, M.P.
登録日2014-05-09
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
3S1A
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BU of 3s1a by Molmil
Crystal structure of the phosphorylation-site double mutant S431E/T432E of the KaiC circadian clock protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION
著者Pattanayek, R, Williams, D.W, Rossi, G, Weigand, S, Mori, T, Johnson, C.H, Stewart, P.L, Egli, M.
登録日2011-05-14
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
6B82
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Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex
分子名称: ACETATE ION, Abiraterone, CHLORIDE ION, ...
著者Pallan, P.S, Egli, M.
登録日2017-10-05
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes.
J. Biol. Chem., 293, 2018
3UKC
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(S)-cEt-BNA decamer structure
分子名称: DNA (5'-D(*GP*CP*GP*TP*AP*(1TL)P*AP*CP*GP*C)-3')
著者Pallan, P.S, Egli, M.
登録日2011-11-09
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs.
Chem.Commun.(Camb.), 48, 2012
3UKE
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(S)-cMOE-BNA decamer structure
分子名称: DNA (5'-D(*GP*CP*GP*TP*AP*(CSM)P*AP*CP*GP*C)-3')
著者Pallan, P.S, Egli, M.
登録日2011-11-09
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献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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