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All PDB entries with NMR restraints data
6ACV
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BU of 6acv by Molmil
the solution NMR structure of MBD domain
Descriptor: Methyl-CpG-binding domain-containing protein 11
Authors:Li, S.L, Feng, Y.Y, Zhou, Y, Ding, Y.M, Liu, K, Nie, Y, Li, F, Yang, Y.Y.
Deposit date:2018-07-27
Release date:2019-07-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:the solution NMR structure of MBD domains
To Be Published
6AFQ
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BU of 6afq by Molmil
Thanatin M21F in presence of DPC
Descriptor: Thanatin
Authors:Bhattacharjya, S, Sinha, S.
Deposit date:2018-08-08
Release date:2019-08-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Thanatin M21F in presence of DPC
To Be Published
6AGP
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BU of 6agp by Molmil
Structure of Rac1 in the low-affinity state for Mg2+
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1
Authors:Toyama, Y, Kontani, K, Katada, T, Shimada, I.
Deposit date:2018-08-13
Release date:2019-03-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Conformational landscape alternations promote oncogenic activities of Ras-related C3 botulinum toxin substrate 1 as revealed by NMR.
Sci Adv, 5, 2019
6AHZ
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BU of 6ahz by Molmil
The NMR Structure of the Polysialyltranseferase Domain (PSTD) in Polysialyltransferase ST8siaIV
Descriptor: CMP-N-acetylneuraminate-poly-alpha-2,8-sialyltransferase
Authors:Liu, X.H, Lu, B, Peng, L.X, Liao, S.M, Zhou, F, Chen, D, Lu, Z.L, Zhou, G.P, Huang, R.B.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Inhibition of Polysialyltranseferase ST8SiaIV Through Heparin Binding to Polysialyltransferase Domain (PSTD).
Med Chem, 15, 2019
6AK0
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BU of 6ak0 by Molmil
Solution NMR structure of a new lasso peptide specialicin
Descriptor: CYS-LEU-GLY-VAL-GLY-SER-CYS-VAL-ASP-PHE-ALA-GLY-CYS-GLY-TYR-ALA-VAL-VAL-CYS-PHE-DTR
Authors:Hemmi, H, Kodani, S, Kaweewan, I, Komaki, H.
Deposit date:2018-08-28
Release date:2018-12-05
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Isolation and structure determination of a new lasso peptide specialicin based on genome mining
Bioorg. Med. Chem., 26, 2018
6ALI
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BU of 6ali by Molmil
Solution NMR structure of a putative thioredoxin (ECH_0218) in the oxidized state from Ehrlichia chaffeensis, the etiological agent responsible for human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease target EhchA.00546.a
Descriptor: Thioredoxin
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-08-08
Release date:2017-09-06
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Solution NMR structures of oxidized and reduced Ehrlichia chaffeensis thioredoxin: NMR-invisible structure owing to backbone dynamics.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6ALK
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BU of 6alk by Molmil
NMR solution structure of the major beech pollen allergen Fag s 1
Descriptor: Fag s 1 pollen allergen
Authors:Moraes, A.H, Asam, A, Almeida, F.C.L, Wallner, M, Ferreira, F, Valente, A.P.
Deposit date:2017-08-08
Release date:2018-08-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for cross-reactivity and conformation fluctuation of the major beech pollen allergen Fag s 1.
Sci Rep, 8, 2018
6ALS
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BU of 6als by Molmil
Solution structure of a DNA dodecamer with 5-methylcytosine at the 3rd and 9th position and 8-oxoguanine at the 4th position
Descriptor: DNA (5'-D(*(DC5)P*GP*(DMC)P*(8OG)P*AP*AP*TP*TP*(DMC)P*GP*CP*(DG3))-3')
Authors:Gruber, D.R, Shernyukov, A.V, Endutkin, A.V, Bagryanskaya, E.G, Zharkov, D.O, Smirnov, S.L.
Deposit date:2017-08-08
Release date:2017-09-06
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
6ALT
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BU of 6alt by Molmil
Solution structure of a DNA dodecamer with 5-methylcytosine at the 3rd and 9th position
Descriptor: DNA (5'-D(*(DC5)P*GP*(DMC)P*GP*AP*AP*TP*TP*(DMC)P*GP*CP*(DG3))-3')
Authors:Gruber, D.R, Hoppins, J.J, Miears, H.L, Zharkov, D.O, Smirnov, S.L.
Deposit date:2017-08-08
Release date:2017-09-20
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
6ALU
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BU of 6alu by Molmil
Solution structure of a DNA dodecamer with 5-methylcytosine at the 3rd and 8-oxoguanine at the 4th position
Descriptor: DNA (5'-D(*(DC5)P*GP*(DMC)P*(8OG)P*AP*AP*TP*TP*CP*GP*CP*(DG3))-3')
Authors:Gruber, D.R, Shernyukov, A.V, Endutkin, A.V, Bagryanskaya, E.G, Zharkov, D.O, Smirnov, S.L.
Deposit date:2017-08-08
Release date:2017-09-06
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
6ALY
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BU of 6aly by Molmil
Solution structure of yeast Med15 ABD2 residues 277-368
Descriptor: Mediator of RNA polymerase II transcription subunit 15
Authors:Tuttle, L.M, Pacheco, D, Warfield, L, Hahn, S, Klevit, R.E.
Deposit date:2017-08-08
Release date:2018-03-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Gcn4-Mediator Specificity Is Mediated by a Large and Dynamic Fuzzy Protein-Protein Complex.
Cell Rep, 22, 2018
6AMR
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BU of 6amr by Molmil
Solution NMR structure of a putative thioredoxin (ECH_0218) in the reduced state from Ehrlichia chaffeensis, the etiological agent responsible for human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease target EhchA.00546.a
Descriptor: Thioredoxin
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-08-11
Release date:2017-09-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structures of oxidized and reduced Ehrlichia chaffeensis thioredoxin: NMR-invisible structure owing to backbone dynamics.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6AMV
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BU of 6amv by Molmil
Abl 1b Regulatory Module 'inhibiting state'
Descriptor: Tyrosine-protein kinase ABL1
Authors:Kalodimos, C.G, Saleh, T, Rossi, P.
Deposit date:2017-08-11
Release date:2017-09-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Atomic view of the energy landscape in the allosteric regulation of Abl kinase.
Nat. Struct. Mol. Biol., 24, 2017
6AMW
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BU of 6amw by Molmil
Abl1b Regulatory Module 'Activating' conformation
Descriptor: Tyrosine-protein kinase ABL1
Authors:Kalodimos, C.G, Rossi, P, Saleh, T.
Deposit date:2017-08-11
Release date:2017-09-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Atomic view of the energy landscape in the allosteric regulation of Abl kinase.
Nat. Struct. Mol. Biol., 24, 2017
6ANF
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BU of 6anf by Molmil
Design of a short thermo-stable alpha-helix embedded in a macrocycle
Descriptor: 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide
Authors:Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F.
Deposit date:2017-08-13
Release date:2018-02-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
6AP5
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BU of 6ap5 by Molmil
H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409
Descriptor: Thioredoxin
Authors:Tang, C.T, Yang, F.Y, Varani, G.V, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-08-17
Release date:2017-10-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409
To Be Published
6ASF
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BU of 6asf 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')
Authors:Harika, N.K, Germann, M.W, Boykin, D.W.
Deposit date:2017-08-24
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
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

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