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NMR 化学シフト データを含む全ての PDB エントリー
6V1W
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BU of 6v1w by Molmil
NMR Structure of C-terminal Domain of phi29 ATPase
分子名称: DNA packaging protein
著者Mahler, B, Mao, H, Morais, M.C.
登録日2019-11-21
公開日2020-09-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of a vestigial nuclease provides insight into the evolution of functional transitions in viral dsDNA packaging motors.
Nucleic Acids Res., 48, 2020
6V4I
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BU of 6v4i by Molmil
DanD
分子名称: DanD peptide
著者Hoang, H.N.
登録日2019-11-27
公開日2020-12-02
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献DanD
To Be Published
6V4T
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BU of 6v4t by Molmil
MPER-TMD of HIV-1 Env bound with the entry inhibitor S2C3
分子名称: 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium), Envelope glycoprotein gp160
著者Xiao, T, Frey, G, Fu, Q, Lavine, C.L, Scott, D.A, Seaman, M.S, Chou, J.J, Chen, B.
登録日2019-11-30
公開日2020-04-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献HIV-1 fusion inhibitors targeting the membrane-proximal external region of Env spikes.
Nat.Chem.Biol., 16, 2020
6V5D
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BU of 6v5d by Molmil
EROS3 RDC and NOE Derived Ubiquitin Ensemble
分子名称: Ubiquitin
著者Lange, O.F, Lakomek, N.A, Smith, C.A, Griesinger, C, de Groot, B.L.
登録日2019-12-04
公開日2020-01-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Enhancing NMR derived ensembles with kinetics on multiple timescales.
J.Biomol.Nmr, 74, 2020
6V5L
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BU of 6v5l by Molmil
The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22
分子名称: (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A.
登録日2019-12-04
公開日2019-12-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate
Chemical Biology & Drug Design, 94, 2019
6V6T
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BU of 6v6t by Molmil
Solution structure of delta-theraphotoxin-Hm1b from Heteroscodra maculata
分子名称: Delta-theraphotoxin-Hm1b
著者Chin, Y.K.Y, Chow, C.Y, King, G.F.
登録日2019-12-05
公開日2020-05-13
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A selective Na V 1.1 activator with potential for treatment of Dravet syndrome epilepsy.
Biochem Pharmacol, 181, 2020
6V88
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Solution NMR structure of Dictyostelium discoideum Skp1A (truncated) dimer
分子名称: SCF ubiquitin ligase complex protein SKP1a
著者Kim, H.W, Eletsky, A, West, C.M.
登録日2019-12-10
公開日2020-04-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Skp1 Dimerization Conceals Its F-Box Protein Binding Site.
Biochemistry, 59, 2020
6VA1
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BU of 6va1 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element
分子名称: RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
著者Chen, J.L, Fountain, M.A, Disney, M.D.
登録日2019-12-16
公開日2020-05-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA2
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Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5
分子名称: (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
著者Chen, J.L, Fountain, M.A, Disney, M.D.
登録日2019-12-16
公開日2020-05-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA3
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BU of 6va3 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC
分子名称: 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
著者Chen, J.L, Fountain, M.A, Disney, M.D.
登録日2019-12-16
公開日2020-05-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VA4
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Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MIP
分子名称: N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
著者Chen, J.L, Fountain, M.A, Disney, M.D.
登録日2019-12-16
公開日2020-05-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6VAR
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BU of 6var by Molmil
61 nt human Hepatitis B virus epsilon pre-genomic RNA
分子名称: RNA (61-MER)
著者LeBlanc, R.M, Kasprzak, W.K, Longhini, A.P, Abulwerdi, F, Ginocchio, S, Shields, B, Nyman, J, Svirydava, M, Del Vecchio, C, Ivanic, J, Schneekloth, J.S, Dayie, T.K, Shapiro, B.A, Le Grice, S.F.J.
登録日2019-12-17
公開日2020-12-30
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Structural insights of the conserved "priming loop" of hepatitis B virus pre-genomic RNA.
J.Biomol.Struct.Dyn., 2021
6VE9
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BU of 6ve9 by Molmil
Solution NMR structure of enterococcal cytolysin S (CylLS") produced by Enterococcus faecalis
分子名称: enterococcal cytolysin S
著者Bobeica, S.C, van der Donk, W.A, Zhu, L, Tang, W.
登録日2019-12-30
公開日2020-07-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
6VED
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BU of 6ved by Molmil
Solution structure of the TTD and linker region of UHRF1
分子名称: E3 ubiquitin-protein ligase UHRF1
著者Lemak, A, Houliston, S, Duan, S, Ong, M.S, Arrowsmith, C.H.
登録日2019-12-31
公開日2020-06-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1.
Nucleic Acids Res., 48, 2020
6VEE
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BU of 6vee by Molmil
Solution structure of the TTD and linker region of mouse UHRF1 (NP95)
分子名称: E3 ubiquitin-protein ligase UHRF1
著者Lemak, A, Houliston, S, Duan, S, Arrowsmith, C.H.
登録日2019-12-31
公開日2020-06-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1.
Nucleic Acids Res., 48, 2020
6VFO
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BU of 6vfo by Molmil
Solution structure of the PHD of mouse UHRF1 (NP95)
分子名称: E3 ubiquitin-protein ligase UHRF1, ZINC ION
著者Lemak, A, Houliston, S, Duan, S, Arrowsmith, C.H.
登録日2020-01-06
公開日2020-06-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1.
Nucleic Acids Res., 48, 2020
6VG7
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BU of 6vg7 by Molmil
De novo designed Rossmann fold protein ROS2_49223
分子名称: De novo designed protein RO2_25
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGA
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BU of 6vga by Molmil
De novo designed Rossmann fold protein ROS2_835
分子名称: De novo designed protein RO2_1
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGB
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BU of 6vgb by Molmil
De novo designed Rossmann fold protein ROS2_36830
分子名称: De novo designed protein RO2_20
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGT
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BU of 6vgt by Molmil
Solution NMR structure of enterococcal cytolysin L (CylLL") produced by Enterococcus faecalis
分子名称: cytolysin L
著者Bobeica, S.C, van der Donk, W.A, Zhu, L, Tang, W.
登録日2020-01-08
公開日2020-07-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
6VH8
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BU of 6vh8 by Molmil
NMR Solution Structure of Excelsatoxin A
分子名称: Excelsatoxin A
著者Harvey, P.J, Durek, T, Craik, D.J.
登録日2020-01-09
公開日2020-09-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Neurotoxic peptides from the venom of the giant Australian stinging tree.
Sci Adv, 6, 2020
6VHJ
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BU of 6vhj by Molmil
Solution NMR of Prochlorosin 1.1 produced by Prochlorococcus MIT 9313
分子名称: Prochlorosin 1.1
著者Bobeica, S.C, van der Donk, W.A, Tang, W.
登録日2020-01-09
公開日2020-07-08
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
6VJQ
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BU of 6vjq by Molmil
Solution NMR structure of Prochlorosin 2.1 produced by Prochlorococcus MIT 9313
分子名称: Prochlorosin 2.1
著者Bobeica, S.C, van der Donk, W.A, Zhu, L.
登録日2020-01-16
公開日2020-07-08
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
6VK2
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BU of 6vk2 by Molmil
NMR solution structure of Grb2-SH2 domain at pH 7
分子名称: Growth factor receptor-bound protein 2
著者Sanches, K, Caruso, I.P, Melo, F.A, Almeida, F.C.L.
登録日2020-01-18
公開日2020-07-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The dynamics of free and phosphopeptide-bound Grb2-SH2 reveals two dynamically independent subdomains and an encounter complex with fuzzy interactions.
Sci Rep, 10, 2020
6VL2
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Stigmurin
分子名称: Stigmurin
著者Rodrigues, S.C.S, Resende, J.M, Araujo, R.M, Pedrosa, M.F.F.
登録日2020-01-22
公開日2021-01-13
最終更新日2021-01-20
実験手法SOLUTION NMR
主引用文献NMR three-dimensional structure of the cationic peptide Stigmurin from Tityus stigmurus scorpion venom: In vitro antioxidant and in vivo antibacterial and healing activity.
Peptides, 137, 2021

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