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All PDB entries with NMR chemical-shift data
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
Descriptor: 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
Authors:Harika, N.K, Germann, M.W, Wilson, W.D.
Deposit date:2017-08-25
Release date:2018-01-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: PLP-12
Authors:Fisher, M, Mylne, J.S, Howard, M.J.
Deposit date:2017-09-05
Release date:2018-03-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: GLY-LEU-LEU-GLY-ILE-THR-ASP
Authors:Fisher, M, Mylne, J.S, Howard, M.J.
Deposit date:2017-09-05
Release date:2018-03-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: Mu-hexatoxin-Mg2a
Authors:del Rio-Portilla, F, Titaux-Delgado, G.A, Escobedo-Gonzalez, F.C.
Deposit date:2017-09-06
Release date:2018-01-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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.
Descriptor: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
Authors:Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V.
Deposit date:2017-09-06
Release date:2017-10-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: DNA repair protein REV1
Authors:Fujii, N, Vanarotti, M.
Deposit date:2017-09-06
Release date:2018-06-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: ASP-LEU-PHE-VAL-PRO-PRO-ILE-ASP
Authors:Fisher, M, Mylne, J.S, Howard, M.J.
Deposit date:2017-09-06
Release date:2018-03-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: ARG-CYS-LYS-THR-CYS-SER-LYS-GLY-ARG-CYS-ARG-PRO-LYS-PRO-ASN-CYS-GLY-NH2
Authors:Chin, Y.K.-Y, Madio, B, King, G.F, Undheim, E.A.B.
Deposit date:2017-09-10
Release date:2018-09-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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)
Descriptor: GLY-SER-PRO-LEU-PHE-ASP
Authors:Fisher, M, Mylne, J.S, Howard, M.J.
Deposit date:2017-09-11
Release date:2018-03-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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)
Descriptor: GLY-SER-PRO-LEU-PHE-ASP
Authors:Fisher, M, Mylne, J.S, Howard, M.J.
Deposit date:2017-09-11
Release date:2018-03-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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.
Descriptor: TAR DNA-binding protein 43, S48E Mutant, Y4R Mutant
Authors:Naik, M.T, Wang, A, Conicella, A, Fawzi, N.L.
Deposit date:2017-09-18
Release date:2018-02-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-GLN-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-LYS-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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
Descriptor: NleG5-1
Authors:Valleau, D, Houliston, S, Lemak, A, Anderson, W.F, Arrowsmith, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-09-22
Release date:2017-11-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: HIV-1 GP41 Transmembrane Domain
Authors:Chiliveri, S.C, Louis, J.M, Ghirlando, R, Baber, J.L, Bax, A.
Deposit date:2017-09-24
Release date:2018-01-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Benenodin-1
Authors:Link, A.J, Zong, C.
Deposit date:2017-09-29
Release date:2017-10-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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)
Descriptor: BCL-6 corepressor, Protein AF-9
Authors:Schmidt, C.R, Kuntimaddi, A, Leach, B.I, Bushweller, J.H.
Deposit date:2017-10-04
Release date:2018-10-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE
Authors:Flores-Solis, D, McShan, A, Sgourakis, N.
Deposit date:2017-10-10
Release date:2018-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Defensin-1
Authors:Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Franco-Bodek, D.
Deposit date:2017-10-11
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: U21-hexatoxin-Hi1a
Authors:Chin, Y.K.-Y, Pineda, S.S, King, G.F.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Ras-related protein Rap-1b, Talin-1
Authors:Zhu, L, Yang, J, Qin, J.
Deposit date:2017-10-12
Release date:2017-12-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: Defensin-1
Authors:Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Flores-Solis, D.
Deposit date:2017-10-13
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Defensin-1
Authors:Escobedo-Gonzalez, F.C, del Rio-Portilla, F, Titaux-Delgado, G.A.
Deposit date:2017-10-16
Release date:2018-09-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: DDPT(DPR)(DAR)Q(DGN)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-24
Release date:2018-01-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: T(DLY)NDT(DSG)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
Deposit date:2017-10-24
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017

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數據於2024-09-25公開中

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