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5OLF
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BU of 5olf by Molmil
Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions in Living Cancer Cells
Descriptor: GBA-ALA-CYS-ARG-PHE-PHE-CYS
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2017-07-27
Release date:2018-06-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells.
J. Med. Chem., 61, 2018
6FCE
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BU of 6fce by Molmil
NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors
Descriptor: ACP-HIS-DPHE-ARG-TRP-ASP-NH2
Authors:Brancaccio, D, Carotenuto, A, Grieco, P, Merlino, F, Zhou, Y, Cai, M, Yousif, A.M, Di Maro, S, Novellino, E, Hruby, V.J.
Deposit date:2017-12-20
Release date:2018-04-25
Last modified:2018-05-23
Method:SOLUTION NMR
Cite:Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors.
J. Med. Chem., 61, 2018
6HVC
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BU of 6hvc by Molmil
NMR structure of Urotensin Peptide Asp-c[Cys-Phe-Trp-(N-Me)Lys-Tyr-Cys]-Val in SDS solution
Descriptor: Urotensin-2
Authors:Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P.
Deposit date:2018-10-10
Release date:2019-01-16
Last modified:2019-04-24
Method:SOLUTION NMR
Cite:Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
6HVB
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BU of 6hvb by Molmil
NMR structure of Urotensin Peptide Asp-c[Cys-Phe-(N-Me)Trp-Lys-Tyr-Cys]-Val in SDS solution
Descriptor: Urotensin-2
Authors:Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P.
Deposit date:2018-10-10
Release date:2019-01-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
7OSD
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BU of 7osd by Molmil
NMR Solution Structure of Peptide 12: First-in-class cyclic Temporin L analogue with antibacterial and antibiofilm activities
Descriptor: PHE-VAL-PRO-TRP-PHE-LYS-LYS-PHE-DLE-GLU-ARG-ILE-LEU-NH2
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2021-06-08
Release date:2021-08-11
Last modified:2021-08-25
Method:SOLUTION NMR
Cite:First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment.
J.Med.Chem., 64, 2021
7OS8
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BU of 7os8 by Molmil
NMR SOLUTION STRUCTURE OF [Pro3,DLeu9]TL
Descriptor: PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2021-06-08
Release date:2021-08-11
Last modified:2021-08-25
Method:SOLUTION NMR
Cite:First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment.
J.Med.Chem., 64, 2021
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
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
5OJT
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BU of 5ojt by Molmil
Structure-Activity Relationships and Biological Characterization of a Novel, Potent and Serum Stable C-X-C chemokine receptor type 4 (CXCR4) Antagonist
Descriptor: ACE-ARG-ALA-(D)CYS-ARG-BNA-HIS-PEN
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2017-07-24
Release date:2017-11-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structure-Activity Relationships and Biological Characterization of a Novel, Potent, and Serum Stable C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonist.
J. Med. Chem., 60, 2017
2N7N
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BU of 2n7n by Molmil
NMR structure of Peptide PG-989 in DPC micelles
Descriptor: Peptide PG-989
Authors:Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P.
Deposit date:2015-09-16
Release date:2015-12-16
Last modified:2017-10-11
Method:SOLUTION NMR
Cite:Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.
J.Med.Chem., 58, 2015
2MMZ
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BU of 2mmz by Molmil
Solution structure of the apo form of human glutaredoxin 5
Descriptor: Glutaredoxin-related protein 5, mitochondrial
Authors:Banci, L, Brancaccio, D, Ciofi-Baffoni, S, Del Conte, R, Gadepalli, R, Mikolajczyk, M, Neri, S, Piccioli, M, Winkelmann, J.
Deposit date:2014-03-25
Release date:2014-04-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:[2Fe-2S] cluster transfer in iron-sulfur protein biogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
2N7O
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BU of 2n7o by Molmil
NMR Structure of Peptide PG-990 in DPC micelles
Descriptor: Peptide PG-990
Authors:Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P.
Deposit date:2015-09-16
Release date:2015-12-16
Last modified:2017-10-11
Method:SOLUTION NMR
Cite:Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.
J.Med.Chem., 58, 2015
2N7T
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BU of 2n7t by Molmil
NMR structure of Peptide PG-992 in DPC micelles
Descriptor: Peptide PG-992
Authors:Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P.
Deposit date:2015-09-17
Release date:2015-12-16
Last modified:2017-10-11
Method:SOLUTION NMR
Cite:Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.
J.Med.Chem., 58, 2015
5LFH
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BU of 5lfh by Molmil
NMR structure of peptide 10 targeting CXCR4
Descriptor: ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS
Authors:Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2016-10-05
Method:SOLUTION NMR
Cite:Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists.
J.Med.Chem., 59, 2016
5LFF
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BU of 5lff by Molmil
NMR structure of peptide 2 targeting CXCR4
Descriptor: ARG-ALA-CYS-ARG-PHE-PHE-CYS
Authors:Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists.
J.Med.Chem., 59, 2016
6QMQ
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BU of 6qmq by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
Descriptor: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma, ...
Authors:Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
Deposit date:2019-02-08
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QMP
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BU of 6qmp by Molmil
NF-YB/C Heterodimer in Complex with NF-YA Peptide
Descriptor: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma
Authors:Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
Deposit date:2019-02-08
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QMS
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BU of 6qms by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C11-Hydrocarbon Linker
Descriptor: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma
Authors:Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
Deposit date:2019-02-08
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
1JNJ
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BU of 1jnj by Molmil
NMR solution structure of the human beta2-microglobulin
Descriptor: beta2-microglobulin
Authors:Verdone, G, Corazza, A, Viglino, P, Pettirossi, F, Giorgetti, S, Mangione, P, Andreola, A, Stoppini, M, Bellotti, V, Esposito, G.
Deposit date:2001-07-24
Release date:2002-02-27
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition.
Protein Sci., 11, 2002

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