1X6N
 
 | | Crystal structure of S. marcescens chitinase A mutant W167A in complex with allosamidin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Chitinase A | | Authors: | Aronson Jr, N.N, Halloran, B.A, Alexyev, M.F, Zhou, X.E, Wang, Y, Meehan, E.J, Chen, L. | | Deposit date: | 2004-08-11 | | Release date: | 2005-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Muation of Trp167 at the -3 subsite of the chitin-binding cleft of S. marcescens chitinase A causes enhanced transglycosylation
To be Published
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1X6L
 | | Crystal structure of S. marcescens chitinase A mutant W167A | | Descriptor: | Chitinase A | | Authors: | Aronson Jr, N.N, Halloran, B.A, Alexyev, M.F, Zhou, X.E, Wang, Y, Meehan, E.J, Chen, L. | | Deposit date: | 2004-08-11 | | Release date: | 2005-07-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mutation of Trp167 at the -3 subsite of the chitin-binding cleft of S. marcescens chitinase A caused enhanced transglycosylation
To be Published
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7OSD
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7OS8
 | | 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
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5Z31
 | | LPS bound solution structure of WS2-KG18 | | Descriptor: | LYS-ASN-LYS-SER-ARG-VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY | | Authors: | Bhunia, A, Mohid, S.A. | | Deposit date: | 2018-01-05 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
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5Z32
 | | LPS bound solution NMR structure of WS2-VR18 | | Descriptor: | VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG | | Authors: | Bhunia, A, Mohid, S.A. | | Deposit date: | 2018-01-05 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
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8GVN
 | | Novel salt-resistant antimicrobial peptide, RR14 | | Descriptor: | TRP-LEU-ARG-ARG-ILE-LYS-ALA-TRP-LEU-ARG-ARG-ILE-LYS-ALA | | Authors: | Lin, T.L, Tseng, T.S, Fan, P.J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Deciphering Structure-Function Relationship Unveils Salt-Resistant Mode of Action of a Potent MRSA-Inhibiting Antimicrobial Peptide, RR14.
J.Bacteriol., 204, 2022
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6EY3
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5MXS
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5MML
 | | HYL-20k | | Descriptor: | GLY-ILE-LEU-SER-SER-LEU-TRP-LYS-LYS-LEU-LYS-LYS-ILE-ILE-ALA-LYS | | Authors: | Hexnerova, R. | | Deposit date: | 2016-12-10 | | Release date: | 2017-09-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | How proteases from Enterococcus faecalis contribute to its resistance to short alpha-helical antimicrobial peptides.
Pathog Dis, 75, 2017
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5MMK
 | | HYL-20 | | Descriptor: | GLY-ILE-LEU-SER-SER-LEU-TRP-LYS-LYS-LEU-LYS-LYS-ILE-ILE-ALA-LYS | | Authors: | Hexnerova, R. | | Deposit date: | 2016-12-10 | | Release date: | 2017-09-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | How proteases from Enterococcus faecalis contribute to its resistance to short alpha-helical antimicrobial peptides.
Pathog Dis, 75, 2017
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5MXT
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6OQP
 | | U-AITx-Ate1 | | Descriptor: | SER-LYS-TRP-ILE-CYS-ALA-ASN-ARG-SER-VAL-CYS-PRO-ILE | | Authors: | Elnahriry, K.A, Wai, D.C.C, Norton, R.S. | | Deposit date: | 2019-04-28 | | Release date: | 2019-07-31 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosa.
Toxicon, 168, 2019
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6FCE
 | | 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
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6QXB
 | | 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
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6QXC
 | | 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
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6S0N
 | | A9 peptide derived from Herceptin fab binding region | | Descriptor: | GLN-ASP-VAL-ASN-THR-ALA-VAL-ALA-TRP | | Authors: | De Luca, S, Verdoliva, V, Saviano, M, Fattorusso, R, Diana, D. | | Deposit date: | 2019-06-17 | | Release date: | 2019-11-06 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | SPR and NMR characterization of the molecular interaction between A9 peptide and a model system of HER2 receptor: A fragment approach for selecting peptide structures specific for their target.
J.Pept.Sci., 26, 2020
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5ZYX
 | | Solution NMR structure of K30 peptide in 10 mM dioctanoyl phosphatidylglycerol (D8PG) | | Descriptor: | ARG-TRP-LYS-ARG-HIS-ILE-SER-GLU-GLN-LEU-ARG-ARG-ARG-ASP-ARG-LEU-GLN-ARG-GLN-ALA | | Authors: | Bhunia, A, Mohid, A, Stella, L, Calligari, P. | | Deposit date: | 2018-05-28 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design, Synthesis, Antibacterial Potential, and Structural Characterization of N-Acylated Derivatives of the Human Autophagy 16 Polypeptide.
Bioconjug.Chem., 30, 2019
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6BJF
 | | NMR Structural and biophysical functional analysis of intracellular loop 5 of the NHE1 isoform of the Na+/H+ exchanger. | | Descriptor: | GLY-LEU-THR-TRP-PHE-ILE-ASN-LYS-PHE-ARG-ILE-VAL-LYS | | Authors: | McKay, R, Wong, K, Towle, K, Fliegel, L. | | Deposit date: | 2017-11-06 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Diverse residues of intracellular loop 5 of the Na+/H+exchanger modulate proton sensing, expression, activity and targeting.
Biochim Biophys Acta Biomembr, 1861, 2019
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6M0Y
 | | KR-12 analog derived from human LL-37 | | Descriptor: | LYS-ARG-ILE-VAL-LYS-ARG-ILE-LYS-LYS-TRP-LEU-ARG | | Authors: | Yun, H, Min, H.J, Lee, C.W. | | Deposit date: | 2020-02-24 | | Release date: | 2021-02-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure and Bactericidal Activity of KR-12 Analog Derived from Human LL-37 as a Potential Cosmetic Preservative
To Be Published
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7V5E
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8QAQ
 | | Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. Conformation 1 of omphalotin A in apolar solvents. | | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | | Deposit date: | 2023-08-23 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | SOLUTION NMR | | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
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8QAS
 | | Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation. | | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | | Deposit date: | 2023-08-23 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | SOLUTION NMR | | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
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8QBP
 | | Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation. | | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | | Deposit date: | 2023-08-25 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-03 | | Method: | SOLUTION NMR | | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
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7TRP
 | | Human M4 muscarinic acetylcholine receptor complex with Gi1 and the agonist iperoxo and positive allosteric modulator LY2033298 | | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Antibody fragment scFv16, ... | | Authors: | Vuckovic, Z, Mobbs, J.I, Belousoff, M.J, Glukhova, A, Sexton, P.M, Danev, R, Thal, D.M. | | Deposit date: | 2022-01-30 | | Release date: | 2023-05-17 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural and dynamic mechanisms of allostery at the M4 muscarinic acetylcholine receptor
Elife, 2023
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