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All PDB entries with NMR restraints data
7N25
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BU of 7n25 by Molmil
NMR structure of EpI-OH
Descriptor: Alpha-conotoxin EpI-OH
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N26
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BU of 7n26 by Molmil
NMR structure of EpI-[Y(SO3)15Y]-NH2
Descriptor: Alpha-conotoxin EpI
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N45
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BU of 7n45 by Molmil
Solution NMR structure of the N-terminal globular domain of the endemic HKU1 coronavirus nucleocapsid protein
Descriptor: Nucleoprotein
Authors:Caruso, I.P, Marques, A.L, Santana-Silva, M.C, Almeida, F.C.L, Amorim, G.C.
Deposit date:2021-06-03
Release date:2022-06-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of the N-terminal globular domain of the endemic HKU1 coronavirus nucleocapsid protein.
To Be Published
7N7D
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BU of 7n7d by Molmil
Solution structure of the MYC promoter G-quadruplex in complex with berberine: conformer A
Descriptor: BERBERINE, Myc2345
Authors:Dickerhoff, J, Yang, D.
Deposit date:2021-06-10
Release date:2021-11-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Berberine Molecular Recognition of the Parallel MYC G-Quadruplex in Solution.
J.Med.Chem., 64, 2021
7N7E
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BU of 7n7e by Molmil
Solution structure of the MYC promoter G-quadruplex in complex with berberine: conformer B
Descriptor: BERBERINE, Myc2345
Authors:Dickerhoff, J, Yang, D.
Deposit date:2021-06-10
Release date:2021-11-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Berberine Molecular Recognition of the Parallel MYC G-Quadruplex in Solution.
J.Med.Chem., 64, 2021
7N82
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BU of 7n82 by Molmil
NMR Solution structure of Se0862
Descriptor: Biofilm-related protein
Authors:Zhang, N, LiWang, A.L.
Deposit date:2021-06-11
Release date:2021-07-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Assessment of prediction methods for protein structures determined by NMR in CASP14: Impact of AlphaFold2.
Proteins, 89, 2021
7N87
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BU of 7n87 by Molmil
Solution NMR structure of peptidase domain from Clostridium thermocellum PCAT1
Descriptor: ABC-type bacteriocin transporter
Authors:Bhattacharya, S, Palillo, A.
Deposit date:2021-06-13
Release date:2021-12-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and dynamic studies of the peptidase domain from Clostridium thermocellum PCAT1.
Protein Sci., 31, 2022
7N99
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BU of 7n99 by Molmil
SDE2 SAP domain apo structure
Descriptor: Isoform 2 of Replication stress response regulator SDE2
Authors:Paung, Y, Weinheimer, A.S, Rageul, J, Khan, A, Ho, B, Tong, M, Alphonse, S, Seeliger, M.A, Kim, H.
Deposit date:2021-06-17
Release date:2022-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Extended DNA-binding interfaces beyond the canonical SAP domain contribute to the function of replication stress regulator SDE2 at DNA replication forks.
J.Biol.Chem., 298, 2022
7NBK
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BU of 7nbk by Molmil
Solution structure of DNA duplex containing a 2'-deoxy-2'2'-difluorodeoxycytidine (gemcitabine) modification
Descriptor: DNA (5'-D(*CP*GP*TP*AP*(FFC)P*G)-3')
Authors:Cabrero, C, Martin-Pintado, N, Mazzini, S, Gargallo, R, Eritja, R, Avino, A, Gonzalez, C.
Deposit date:2021-01-27
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Effects of Incorporation of 2 -Deoxy-2 2 -difluorodeoxycytidine (Gemcitabine) in A- and B-form Duplexes.
Chemistry, 2021
7NBL
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BU of 7nbl by Molmil
Solution structure of DNA:RNA hybrid containing a 2'-deoxy-2'2'-difluorodeoxycytidine (gemcitabine) modification
Descriptor: DNA (5'-D(*CP*TP*AP*(FFC)P*AP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*UP*GP*UP*AP*G)-3')
Authors:Cabrero, C, Martin-Pintado, N, Mazzini, S, Gargallo, R, Eritja, R, Avino, A, Gonzalez, C.
Deposit date:2021-01-27
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Effects of Incorporation of 2 -Deoxy-2 2 -difluorodeoxycytidine (Gemcitabine) in A- and B-form Duplexes.
Chemistry, 2021
7NBP
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BU of 7nbp by Molmil
Solution structure of DNA duplex containing a 7,8-dihydro-8-oxo-1,N6-ethenoadenine base modification that induces exclusively A->T transversions in Escherichia coli
Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*(EDA)P*CP*AP*TP*G)-3')
Authors:Aralov, A.V, Gubina, N, Cabrero, C, Tsvetkov, V.B, Turaev, A.V, Fedeles, B.I, Croy, R.G, Isaakova, E.A, Melnik, D, Dukova, S, Khrulev, A.A, Varizhuk, A.M, Gonzalez, C, Zatsepin, T.S, Essigmann, J.M.
Deposit date:2021-01-27
Release date:2022-03-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:7,8-Dihydro-8-oxo-1,N6-ethenoadenine: an exclusively Hoogsteen-paired thymine mimic in DNA that induces A→T transversions in Escherichia coli.
Nucleic Acids Res., 50, 2022
7ND1
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BU of 7nd1 by Molmil
First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain
Descriptor: 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ...
Authors:Cierpicki, T, Lund, G, Jaremko, L.
Deposit date:2021-01-29
Release date:2021-06-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
7NE8
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BU of 7ne8 by Molmil
Tick salivary protein BSAP1
Descriptor: tick salivary protein BSAP1
Authors:Denisov, S.S, Ippel, J.H, Castoldi, E, Hackeng, T.M, Dijkgraaf, I.
Deposit date:2021-02-03
Release date:2021-06-16
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Molecular basis of anticoagulant and anticomplement activity of the tick salivary protein Salp14 and its homologs.
J.Biol.Chem., 297, 2021
7NEJ
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BU of 7nej by Molmil
Solution structure of DNA:RNA hybrid duplex
Descriptor: DNA (5'-D(*CP*TP*AP*CP*AP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*UP*GP*UP*AP*G)-3')
Authors:Cabrero, C, Martin-Pintado, N, Mazzini, S, Gargallo, R, Eritja, R, Avino, A, Gonzalez, C.
Deposit date:2021-02-04
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Effects of Incorporation of 2 -Deoxy-2 2 -difluorodeoxycytidine (Gemcitabine) in A- and B-form Duplexes.
Chemistry, 2021
7NF9
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BU of 7nf9 by Molmil
N-terminal C2H2 Zn-finger domain of Clamp
Descriptor: Chromatin-linked adaptor for MSL proteins, isoform A, ZINC ION
Authors:Mariasina, S.S, Bonchuk, A.N, Tikhonova, E.A, Efimov, S.V, Maksimenko, O.G, Georgiev, P.G, Polshakov, V.I.
Deposit date:2021-02-05
Release date:2021-12-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural basis for interaction between CLAMP and MSL2 proteins involved in the specific recruitment of the dosage compensation complex in Drosophila.
Nucleic Acids Res., 50, 2022
7NHZ
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BU of 7nhz by Molmil
NMR structure of Rv1813c from Mycobacterium tuberculosis
Descriptor: Uncharacterized protein Rv1813c
Authors:Barthe, P, Cohen-Gonsaud, M.
Deposit date:2021-02-11
Release date:2021-03-31
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:A Mycobacterium tuberculosis effector targets mitochondrion, controls energy metabolism and limits cytochrome c exit.
To Be Published
7NIP
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BU of 7nip by Molmil
titin N2A unique sequence (UN2A) core
Descriptor: Isoform 11 of Titin
Authors:Zhou, T, Kovermann, M, Fleming, J.R, Mayans, O.
Deposit date:2021-02-13
Release date:2021-03-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Molecular Characterisation of Titin N2A and Its Binding of CARP Reveals a Titin/Actin Cross-linking Mechanism.
J.Mol.Biol., 433, 2021
7NKV
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BU of 7nkv by Molmil
PaaR2 regulator N-terminal domain
Descriptor: Phage repressor protein CI
Authors:Prolic-Kalinsek, M, Loris, R, Volkov, A.N.
Deposit date:2021-02-19
Release date:2022-03-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Regulation of the Escherichia coli paaR2-paaA2-ParD2 toxin-antitoxin system
To Be Published
7NM2
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BU of 7nm2 by Molmil
Solution structure of MLKL executioner domain in complex with a fragment
Descriptor: 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2021-02-23
Release date:2021-09-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
7NM4
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BU of 7nm4 by Molmil
Solution structure of MLKL executioner domain in complex with a fragment
Descriptor: (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol, Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2021-02-23
Release date:2021-09-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
7NM5
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BU of 7nm5 by Molmil
Solution structure of MLKL executioner domain in complex with a fragment
Descriptor: 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2021-02-23
Release date:2021-09-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
7NMB
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BU of 7nmb by Molmil
cytoplasmic domain of Vibrio cholerae ToxR
Descriptor: Cholera toxin transcriptional activator
Authors:Gubensaek, N, Zangger, K, Hartlmueller, C, Madl, T.
Deposit date:2021-02-23
Release date:2021-10-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural and DNA-binding properties of the cytoplasmic domain of Vibrio cholerae transcription factor ToxR.
J.Biol.Chem., 297, 2021
7NN6
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BU of 7nn6 by Molmil
periplasmic domain of Vibrio cholerae ToxR
Descriptor: ToxR
Authors:Gubensaek, N, Wagner, G.E, Zangger, K.
Deposit date:2021-02-24
Release date:2021-04-07
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:The periplasmic domains of Vibriocholerae ToxR and ToxS are forming a strong heterodimeric complex independent on the redox state of ToxR cysteines.
Mol.Microbiol., 115, 2021
7NQC
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BU of 7nqc by Molmil
Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs
Descriptor: CALCIUM ION, Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF, ...
Authors:Chamberlain, S.G, Owen, D, Mott, H.R.
Deposit date:2021-03-01
Release date:2021-09-22
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane-targeting motifs.
Proc.Natl.Acad.Sci.USA, 118, 2021
7NRN
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BU of 7nrn by Molmil
NMR structure of GIPC1-GH2 domain
Descriptor: PDZ domain-containing protein GIPC1
Authors:Barthe, P, Roumestand, C.
Deposit date:2021-03-04
Release date:2021-04-14
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Pressure and Chemical Unfolding of an alpha-Helical Bundle Protein: The GH2 Domain of the Protein Adaptor GIPC1.
Int J Mol Sci, 22, 2021

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