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All PDB entries with NMR restraints data
5TCE
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BU of 5tce by Molmil
N-terminal microdomain of 34-mers from HsDHODH - N-t(DH)
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial
Authors:Crusca, E, Munte, C.E.
Deposit date:2016-09-14
Release date:2017-09-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Conformational changes of the HsDHODH N-terminal Microdomain via DEER Spectroscopy.
J Phys Chem B, 119, 2015
5TCZ
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BU of 5tcz by Molmil
NMR solution structure of engineered Protoxin-II analog
Descriptor: Beta/omega-theraphotoxin-Tp2a
Authors:Gibbs, A.C, Wickenden, A.D.
Deposit date:2016-09-16
Release date:2017-01-18
Method:SOLUTION NMR
Cite:Insensitivity to pain induced by a potent selective closed-state Nav1.7 inhibitor.
Sci Rep, 7, 2017
5TGG
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BU of 5tgg by Molmil
Solution structure of parallel stranded adenosine duplex
Descriptor: RNA/DNA (5'-D(P*T)-R(*(A2M)P*(A2M)P*(A2M)P*(A2M))-D(P*A)-R(P*(A2M)P*(A2M)P*(A2M))-3')
Authors:Denisov, A, Noronha, A, Gehring, K, Wilds, C.
Deposit date:2016-09-27
Release date:2017-08-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Influence of nucleotide modifications at the C2' position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA.
Nucleic Acids Res., 45, 2017
5TGW
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BU of 5tgw by Molmil
NMR structure of apo-PS1
Descriptor: PS1
Authors:Polizzi, N.F, Wu, Y.
Deposit date:2016-09-28
Release date:2017-08-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo design of a hyperstable non-natural protein-ligand complex with sub- angstrom accuracy.
Nat Chem, 9, 2017
5TGY
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BU of 5tgy by Molmil
NMR structure of holo-PS1
Descriptor: PS1, [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc
Authors:Polizzi, N.F, Wu, Y.
Deposit date:2016-09-28
Release date:2017-08-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo design of a hyperstable non-natural protein-ligand complex with sub- angstrom accuracy.
Nat Chem, 9, 2017
5TJ1
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BU of 5tj1 by Molmil
Benenodin-1-dC5, state 1
Descriptor: Benenodin-1
Authors:Zong, C, Link, A.J.
Deposit date:2016-10-03
Release date:2017-07-19
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, 2017
5TLQ
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BU of 5tlq by Molmil
Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex
Descriptor: 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA
Authors:Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S.
Deposit date:2016-10-11
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
5TLR
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BU of 5tlr by Molmil
Solution NMR structure of gHwTx-IV
Descriptor: Mu-theraphotoxin-Hs2a
Authors:Agwa, A.J, Schroeder, C.I.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Spider peptide toxin HwTx-IV engineered to bind to lipid membranes has an increased inhibitory potency at human voltage-gated sodium channel hNaV1.7.
Biochim. Biophys. Acta, 1859, 2017
5TM0
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BU of 5tm0 by Molmil
Solution NMR structures of two alternative conformations of E. coli tryptophan repressor in dynamic equilibrium
Descriptor: Trp operon repressor
Authors:Harish, B, Swapna, G.V.T, Kornhaber, G.J, Montelione, G.T, Carey, J, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-10-12
Release date:2017-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multiple helical conformations of the helix-turn-helix region revealed by NOE-restrained MD simulations of tryptophan aporepressor, TrpR.
Proteins, 85, 2017
5TMX
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BU of 5tmx by Molmil
Solution Structure of SinI, antagonist to the master biofilm-regulator SinR in Bacillus subtilis
Descriptor: Protein SinI
Authors:Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J.
Deposit date:2016-10-13
Release date:2017-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 2019
5TN0
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BU of 5tn0 by Molmil
Solution Structure of the N-terminal DNA-binding domain of the master biofilm-regulator SinR from Bacillus subtilis
Descriptor: HTH-type transcriptional regulator SinR
Authors:Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J.
Deposit date:2016-10-13
Release date:2017-10-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 2019
5TN2
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BU of 5tn2 by Molmil
Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis
Descriptor: HTH-type transcriptional regulator SinR
Authors:Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J.
Deposit date:2016-10-13
Release date:2017-10-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 2019
5TP5
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BU of 5tp5 by Molmil
Solution structure of the calcium deficient mutant calmodulin CaM1234
Descriptor: Calmodulin
Authors:Piazza, M, Dieckmann, T, Guillemette, J.G.
Deposit date:2016-10-19
Release date:2017-09-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Consequences of Calmodulin EF Hand Mutations.
Biochemistry, 56, 2017
5TP6
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BU of 5tp6 by Molmil
Solution structure of the CaM34 with the iNOS CaM binding domain peptide
Descriptor: Calmodulin, Nitric oxide synthase, inducible
Authors:Piazza, M, Dieckmann, T, Guillemette, J.G.
Deposit date:2016-10-19
Release date:2017-09-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Consequences of Calmodulin EF Hand Mutations.
Biochemistry, 56, 2017
5TR5
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BU of 5tr5 by Molmil
Solution structure of Serine 65 phosphorylated UBL domain from parkin
Descriptor: E3 ubiquitin-protein ligase parkin
Authors:Aguirre, J.D, Dunkerley, K.M, Mercier, P, Shaw, G.S.
Deposit date:2016-10-25
Release date:2016-12-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of phosphorylated UBL domain and insights into PINK1-orchestrated parkin activation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5TRN
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BU of 5trn by Molmil
Solution Structure of a DNA Dodecamer with 8-oxoguanine at the 4th position and 5-methylcytosine at the 9th position
Descriptor: DNA (5'-D(*CP*GP*CP*(8OG)P*AP*AP*TP*TP*(DMC)P*GP*CP*G)-3')
Authors:Hoppins, J.J, Gruber, D.R, Miears, H.L, Endutkin, A.V, Zharkov, D.O, Smirnov, S.L.
Deposit date:2016-10-26
Release date:2017-06-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation.
Nucleic Acids Res., 46, 2018
5TTB
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BU of 5ttb by Molmil
Solution structure of apo ArCP from yersiniabactin synthetase
Descriptor: Siderophore yersiniabactin
Authors:Frueh, D.P, Goodrich, A.C.
Deposit date:2016-11-02
Release date:2017-05-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular impact of covalent modifications on nonribosomal peptide synthetase carrier protein communication.
J. Biol. Chem., 292, 2017
5TTT
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BU of 5ttt by Molmil
Sparse-restraint solution NMR structure of micelle-solubilized cytosolic amino terminal domain of C. elegans mechanosensory ion channel MEC-4 refined by restrained Rosetta
Descriptor: Degenerin mec-4
Authors:Everett, J.K, Liu, G, Mao, B, Driscoll, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-11-04
Release date:2017-02-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Sparse-restraint solution NMR structure of micelle-solubilized cytosolic amino terminal domain of C. elegans mechanosensory ion channel MEC-4 refined by restrained Rosetta
To Be Published
5TVZ
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BU of 5tvz by Molmil
Solution NMR structure of Saccharomyces cerevisiae Pom152 Ig-like repeat, residues 718-820
Descriptor: Nucleoporin POM152
Authors:Dutta, K, Sampathkumar, P, Cowburn, D, Almo, S.C, Rout, M.P, Fernandez-Martinez, J.
Deposit date:2016-11-10
Release date:2017-02-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Architecture of the Major Membrane Ring Component of the Nuclear Pore Complex.
Structure, 25, 2017
5TWI
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BU of 5twi by Molmil
Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
Descriptor: Cyclic tetrapeptide ALA-ARG-ALA-UN1
Authors:Hoang, H.N, Fairlie, D.P.
Deposit date:2016-11-13
Release date:2016-12-14
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
To Be Published
5TWW
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BU of 5tww by Molmil
Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
Descriptor: Cyclic peptide ALA-ALA-ALA-UN1-ALA-ARG-ALA-ALA-ARG-ALA-ALA-ARG-ALA
Authors:Hoang, H.N.
Deposit date:2016-11-14
Release date:2016-12-14
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
To Be Published
5TX8
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BU of 5tx8 by Molmil
Solution structure of the de novo mini protein gHH_44
Descriptor: HH2
Authors:Buchko, G.W, Bahl, C.D, Baker, D.
Deposit date:2016-11-15
Release date:2017-09-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides.
Protein Sci., 27, 2018
5U3H
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BU of 5u3h by Molmil
Solution structure of apo PCP1 from yersiniabactin synthetase
Descriptor: HMWP2 nonribosomal peptide synthetase
Authors:Harden, B.J, Frueh, D.P.
Deposit date:2016-12-02
Release date:2017-02-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Cross-Talk between Nonribosomal Peptide Synthetase Carrier Proteins and Unstructured Linker Regions.
Chembiochem, 18, 2017
5U4K
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BU of 5u4k by Molmil
NMR structure of the complex between the KIX domain of CBP and the transactivation domain 1 of p65
Descriptor: CREB-binding protein, Transcription factor p65
Authors:Lecoq, L, Raiola, L, Chabot, P.R, Cyr, N, Arseneault, G, Omichinski, J.G.
Deposit date:2016-12-05
Release date:2017-03-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kappa B and transcription regulatory factors.
Nucleic Acids Res., 45, 2017
5U5S
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BU of 5u5s by Molmil
Solution structures of Brd2 second bromodomain in complex with stat3 peptide
Descriptor: Bromodomain-containing protein 2, Stat3 peptide
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2016-12-07
Release date:2017-03-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Distinct Roles of Brd2 and Brd4 in Potentiating the Transcriptional Program for Th17 Cell Differentiation.
Mol. Cell, 65, 2017

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