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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
6AST
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BU of 6ast by Molmil
NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA Sequence
分子名称: DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*TP*CP*TP*TP*GP*G)-3'), amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium
著者Harika, N.K, Germann, M.W, Wilson, W.D.
登録日2017-08-25
公開日2018-01-31
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences.
Chemistry, 23, 2017
6AWK
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BU of 6awk by Molmil
PawL-Derived Peptide PLP-12
分子名称: PLP-12
著者Fisher, M, Mylne, J.S, Howard, M.J.
登録日2017-09-05
公開日2018-03-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch.
Plant Direct, 2, 2018
6AWM
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BU of 6awm by Molmil
PawL-Derived Peptide PLP-4
分子名称: GLY-LEU-LEU-GLY-ILE-THR-ASP
著者Fisher, M, Mylne, J.S, Howard, M.J.
登録日2017-09-05
公開日2018-03-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch.
Plant Direct, 2, 2018
6AX2
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BU of 6ax2 by Molmil
Solution structure of Magi3 a specific insect toxin from the spider Macrothele gigas
分子名称: Mu-hexatoxin-Mg2a
著者del Rio-Portilla, F, Titaux-Delgado, G.A, Escobedo-Gonzalez, F.C.
登録日2017-09-06
公開日2018-01-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Successful refolding and NMR structure of rMagi3: A disulfide-rich insecticidal spider toxin.
Protein Sci., 27, 2018
6AX5
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BU of 6ax5 by Molmil
RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1.
分子名称: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V.
登録日2017-09-06
公開日2017-10-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication.
Nat Commun, 12, 2021
6AXD
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BU of 6axd by Molmil
Structures of REV1 UBM2 domain complex with ubiquitin and with the first small-molecule that inhibits the REV1 UBM2-ubiquitin interaction
分子名称: DNA repair protein REV1
著者Fujii, N, Vanarotti, M.
登録日2017-09-06
公開日2018-06-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of REV1 UBM2 Domain Complex with Ubiquitin and with a Small-Molecule that Inhibits the REV1 UBM2-Ubiquitin Interaction.
J. Mol. Biol., 430, 2018
6AXI
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BU of 6axi by Molmil
PawL-Derived Peptide PLP-2
分子名称: ASP-LEU-PHE-VAL-PRO-PRO-ILE-ASP
著者Fisher, M, Mylne, J.S, Howard, M.J.
登録日2017-09-06
公開日2018-03-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch.
Plant Direct, 2, 2018
6AZA
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BU of 6aza by Molmil
NMR structure of sea anemone toxin Kappa-actitoxin-Ate1a
分子名称: ARG-CYS-LYS-THR-CYS-SER-LYS-GLY-ARG-CYS-ARG-PRO-LYS-PRO-ASN-CYS-GLY-NH2
著者Chin, Y.K.-Y, Madio, B, King, G.F, Undheim, E.A.B.
登録日2017-09-10
公開日2018-09-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献PHAB toxins: a unique family of predatory sea anemone toxins evolving via intra-gene concerted evolution defines a new peptide fold.
Cell. Mol. Life Sci., 75, 2018
6AZF
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BU of 6azf by Molmil
PawL-Derived Peptide PLP-10 (trans conformer)
分子名称: GLY-SER-PRO-LEU-PHE-ASP
著者Fisher, M, Mylne, J.S, Howard, M.J.
登録日2017-09-11
公開日2018-03-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch.
Plant Direct, 2, 2018
6AZG
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BU of 6azg by Molmil
PawL-Derived Peptide PLP-10 (cis conformer)
分子名称: GLY-SER-PRO-LEU-PHE-ASP
著者Fisher, M, Mylne, J.S, Howard, M.J.
登録日2017-09-11
公開日2018-03-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch.
Plant Direct, 2, 2018
6B1G
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BU of 6b1g by Molmil
Solution structure of TDP-43 N-terminal domain dimer.
分子名称: TAR DNA-binding protein 43, S48E Mutant, Y4R Mutant
著者Naik, M.T, Wang, A, Conicella, A, Fawzi, N.L.
登録日2017-09-18
公開日2018-02-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A single N-terminal phosphomimic disrupts TDP-43 polymerization, phase separation, and RNA splicing.
EMBO J., 37, 2018
6B34
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BU of 6b34 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.27
分子名称: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-GLN-TYR-VAL-ORN-LEU
著者Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
登録日2017-09-20
公開日2017-12-06
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
6B35
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BU of 6b35 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.28
分子名称: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-LYS-TYR-VAL-ORN-LEU
著者Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
登録日2017-09-20
公開日2017-12-06
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
6B3N
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BU of 6b3n by Molmil
Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
分子名称: NleG5-1
著者Valleau, D, Houliston, S, Lemak, A, Anderson, W.F, Arrowsmith, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-09-22
公開日2017-11-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
To Be Published
6B3U
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BU of 6b3u by Molmil
Solution Structure of HIV-1 GP41 Transmembrane Domain in Bicelles
分子名称: HIV-1 GP41 Transmembrane Domain
著者Chiliveri, S.C, Louis, J.M, Ghirlando, R, Baber, J.L, Bax, A.
登録日2017-09-24
公開日2018-01-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tilted, Uninterrupted, Monomeric HIV-1 gp41 Transmembrane Helix from Residual Dipolar Couplings.
J. Am. Chem. Soc., 140, 2018
6B5W
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BU of 6b5w by Molmil
Benenodin-1-dC5, state 2
分子名称: Benenodin-1
著者Link, A.J, Zong, C.
登録日2017-09-29
公開日2017-10-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Lasso Peptide Benenodin-1 Is a Thermally Actuated [1]Rotaxane Switch
J. Am. Chem. Soc., 139 (30), 2017
6B7G
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BU of 6b7g by Molmil
Solution NMR structure of BCoR in complex with AF9 (BCoR-AF9)
分子名称: BCL-6 corepressor, Protein AF-9
著者Schmidt, C.R, Kuntimaddi, A, Leach, B.I, Bushweller, J.H.
登録日2017-10-04
公開日2018-10-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献BCOR Binding to MLL-AF9 Is Essential for Leukemia via Altered EYA1, SIX, and MYC Activity.
Blood Cancer Discov, 1, 2020
6B9K
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BU of 6b9k by Molmil
Solution NMR Structure of Unbound P18-I10
分子名称: ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE
著者Flores-Solis, D, McShan, A, Sgourakis, N.
登録日2017-10-10
公開日2018-07-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle.
Nat. Chem. Biol., 14, 2018
6B9W
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BU of 6b9w by Molmil
NMR solution structure of Defensin1 from Centruroides limpidus limpidus
分子名称: Defensin-1
著者Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Franco-Bodek, D.
登録日2017-10-11
公開日2018-09-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin
To Be Published
6BA3
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BU of 6ba3 by Molmil
NMR structure of U21-hexatoxin-Hi1a toxin from Australian Funnel-web spider Hadronyche infensa
分子名称: U21-hexatoxin-Hi1a
著者Chin, Y.K.-Y, Pineda, S.S, King, G.F.
登録日2017-10-12
公開日2018-10-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural venomics reveals evolution of a complex venom by duplication and diversification of an ancient peptide-encoding gene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6BA6
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BU of 6ba6 by Molmil
Solution structure of Rap1b/talin complex
分子名称: Ras-related protein Rap-1b, Talin-1
著者Zhu, L, Yang, J, Qin, J.
登録日2017-10-12
公開日2017-12-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of Rap1b bound to talin reveals a pathway for triggering integrin activation.
Nat Commun, 8, 2017
6BAM
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BU of 6bam by Molmil
NMR solution structure of Defensin1 from Centruroides limpidus limpidus
分子名称: Defensin-1
著者Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Flores-Solis, D.
登録日2017-10-13
公開日2018-09-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin
To Be Published
6BB6
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BU of 6bb6 by Molmil
NMR solution structure of Defensin1 from Centruroides limpidus limpidus
分子名称: Defensin-1
著者Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Titaux-Delgado, G.A.
登録日2017-10-16
公開日2018-09-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin
To Be Published
6BE7
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BU of 6be7 by Molmil
Solution structure of de novo macrocycle Design8.1
分子名称: DDPT(DPR)(DAR)Q(DGN)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-24
公開日2018-01-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BE9
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BU of 6be9 by Molmil
Solution structure of de novo macrocycle design7.1
分子名称: T(DLY)NDT(DSG)(DPR)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
登録日2017-10-24
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017

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