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All PDB entries with NMR restraints data
6QTF
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BU of 6qtf by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, major conformer
Descriptor: DCY-LEU-GLY-ALA-THR
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-02-25
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QVW
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BU of 6qvw by Molmil
Solution structure of the free FOXO1 DNA binding domain
Descriptor: Forkhead box protein O1
Authors:Psenakova, K, Obsil, T, Veverka, V, Obsilova, V, Kohoutova, K.
Deposit date:2019-03-05
Release date:2019-09-04
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Forkhead Domains of FOXO Transcription Factors Differ in both Overall Conformation and Dynamics.
Cells, 8, 2019
6QWR
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BU of 6qwr by Molmil
Solid-state NMR structure of outer membrane protein AlkL in DMPC lipid bilayers
Descriptor: Outer membrane protein AlkL
Authors:Schubeis, T, Andreas, L.B, Pintacuda, G.
Deposit date:2019-03-06
Release date:2020-03-18
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:A beta-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL.
Proc.Natl.Acad.Sci.USA, 117, 2020
6QXB
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BU of 6qxb by Molmil
NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli
Descriptor: PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2
Authors:Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E.
Deposit date:2019-03-07
Release date:2019-05-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
6QXC
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BU of 6qxc by Molmil
NMR structure of peptide 8, characterized by a trans-4-cyclohexyl-Pro, with a dramatic reduction in activity on E. coli ATCC and lost effect on P. aeruginosa.
Descriptor: PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2
Authors:Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E.
Deposit date:2019-03-07
Release date:2019-05-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
6QXZ
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BU of 6qxz by Molmil
Solution structure of the ASHH2 CW domain with the N-terminal histone H3 tail mimicking peptide monomethylated on lysine 4
Descriptor: ALA-ARG-THR-MLZ-GLN-THR-ALA-ARG-TYR, Histone-lysine N-methyltransferase ASHH2, ZINC ION
Authors:Dobrovolska, O, Madeleine, N, Teigen, K, Halskau, O, Bril'kov, M.
Deposit date:2019-03-08
Release date:2019-12-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Arabidopsis (ASHH2) CW domain binds monomethylated K4 of the histone H3 tail through conformational selection.
Febs J., 287, 2020
6QYR
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BU of 6qyr by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, minor conformer
Descriptor: DAL-LEU-GLY-CYS-THR
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYS
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BU of 6qys by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B
Descriptor: DBB-PRO-GLY-CYS-LYS
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYT
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BU of 6qyt by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A truncated analogue
Descriptor: DAL-LEU-SER-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYU
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BU of 6qyu by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A
Descriptor: PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYV
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BU of 6qyv by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A (Ser2, Ala5, Ala8) analogue
Descriptor: PHE-SER-DAL-LEU-ALA-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2019-10-02
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYW
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BU of 6qyw by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - nisin ring A
Descriptor: ILE-DBU-DAL-ILE-DHA-LEU-CYS-ALA
Authors:Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
Deposit date:2019-03-09
Release date:2019-09-11
Last modified:2019-10-02
Method:SOLUTION NMR
Cite:Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6R0J
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BU of 6r0j by Molmil
The N-terminal domain of rhomboid protease YqgP
Descriptor: Rhomboid family serine protease
Authors:Began, J, Strisovsky, K, Veverka, V.
Deposit date:2019-03-13
Release date:2020-01-08
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Rhomboid intramembrane protease YqgP licenses bacterial membrane protein quality control as adaptor of FtsH AAA protease.
Embo J., 39, 2020
6R14
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BU of 6r14 by Molmil
Structure of kiteplatinated dsDNA
Descriptor: Kiteplatin, Kiteplatinated DNA oligomer, chain A, ...
Authors:Margiotta, N, Papadia, P, Kubicek, K, Krejcikova, M, Gkionis, K, Sponer, J.
Deposit date:2019-03-13
Release date:2020-04-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of kiteplatinated DNA
To Be Published
6R1V
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BU of 6r1v by Molmil
Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug
Descriptor: 6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one, Sortase A
Authors:Jaudzems, K, Leonchiks, A.
Deposit date:2019-03-15
Release date:2020-01-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Targeting Bacterial Sortase A with Covalent Inhibitors: 27 New Starting Points for Structure-Based Hit-to-Lead Optimization.
Acs Infect Dis., 6, 2020
6R28
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BU of 6r28 by Molmil
Structure of peptide P7, which binds Cdc42 and inhibits effector interactions.
Descriptor: peptide P7
Authors:Murphy, N.P, Mott, H.R, Owen, D.
Deposit date:2019-03-15
Release date:2020-01-29
Last modified:2024-03-06
Method:SOLUTION NMR
Cite:The discovery and maturation of peptide biologics targeting the small G-protein Cdc42: A bioblockade for Ras-driven signaling.
J.Biol.Chem., 295, 2020
6R2X
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BU of 6r2x by Molmil
NMR structure of Chromogranin A (F39-D63)
Descriptor: Chromogranin-A
Authors:Nardelli, F, Quilici, G, Ghitti, M, Curnis, F, Gori, A, Berardi, A, Corti, A, Musco, G.
Deposit date:2019-03-19
Release date:2019-12-04
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A stapled chromogranin A-derived peptide is a potent dual ligand for integrins alpha v beta 6 and alpha v beta 8.
Chem.Commun.(Camb.), 55, 2019
6R3C
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BU of 6r3c by Molmil
Solution structure of birch pollen allergen Bet v 1a
Descriptor: Major pollen allergen Bet v 1-A
Authors:Schweimer, K.
Deposit date:2019-03-20
Release date:2019-07-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Identification of a natural ligand of the hazel allergen Cor a 1.
Sci Rep, 9, 2019
6R5G
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BU of 6r5g by Molmil
C-SH2 domain of SHP-2 in complex with phospho-ITSM of PD-1
Descriptor: ITSM, Tyrosine-protein phosphatase non-receptor type 11
Authors:Marasco, M.
Deposit date:2019-03-25
Release date:2020-02-05
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
6R8E
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BU of 6r8e by Molmil
SC14 G-hairpin
Descriptor: DNA (5'-D(*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*GP*T)-3')
Authors:Lenarcic Zivkovic, M, Trantirek, L, Plavec, J.
Deposit date:2019-04-01
Release date:2021-02-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Insight into formation propensity of pseudocircular DNA G-hairpins.
Nucleic Acids Res., 49, 2021
6R8N
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BU of 6r8n by Molmil
STRUCTURE DETERMINATION OF THE TETRAHEDRAL AMINOPEPTIDASE TET2 FROM P. HORIKOSHII BY USE OF COMBINED SOLID-STATE NMR, SOLUTION-STATE NMR AND EM DATA 4.1 A, FOLLOWED BY REAL_SPACE_REFINEMENT AT 4.1 A
Descriptor: Tetrahedral aminopeptidase, ZINC ION
Authors:Colletier, J.-P, Gauto, D, Estrozi, L, Favier, A, Effantin, G, Schoehn, G, Boisbouvier, J, Schanda, P.
Deposit date:2019-04-02
Release date:2019-08-14
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (4.1 Å), SOLUTION NMR
Cite:Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex.
Nat Commun, 10, 2019
6R95
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BU of 6r95 by Molmil
The solution NMR structure of cis-dicarba-brevinin-1BYa in 33% trifluoroethanol
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2019-04-02
Release date:2019-09-25
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
6R96
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BU of 6r96 by Molmil
The solution NMR structure of cis-dicarba-brevinin-1BYa in sodium dodecyl sulphate micelles
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2019-04-02
Release date:2019-09-25
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
6R9K
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BU of 6r9k by Molmil
A quadruplex hybrid structure with lpp loop orientation and 3 syn residues
Descriptor: DNA (25-MER)
Authors:Karg, B, Weisz, K.
Deposit date:2019-04-03
Release date:2019-07-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Duplex-Guided Refolding into Novel G-Quadruplex (3+1) Hybrid Conformations.
Angew.Chem.Int.Ed.Engl., 58, 2019
6R9L
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BU of 6r9l by Molmil
A quadruplex hybrid structure with lpp loop orientation and 5 syn residues
Descriptor: DNA (25-MER)
Authors:Karg, B, Weisz, K.
Deposit date:2019-04-03
Release date:2019-07-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Duplex-Guided Refolding into Novel G-Quadruplex (3+1) Hybrid Conformations.
Angew.Chem.Int.Ed.Engl., 58, 2019

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