Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
3HO0
DownloadVisualize
BU of 3ho0 by Molmil
Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid
Descriptor: (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E.
Deposit date:2009-06-01
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
3HOD
DownloadVisualize
BU of 3hod by Molmil
Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid
Descriptor: (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E.
Deposit date:2009-06-02
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
6QXB
DownloadVisualize
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
DownloadVisualize
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
3R8I
DownloadVisualize
BU of 3r8i by Molmil
Crystal Structure of PPARgamma with an achiral ureidofibrate derivative (RT86)
Descriptor: 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Loiodice, F, Laghezza, A, Fracchiolla, G, Lavecchia, A, Novellino, E, Crestani, M.
Deposit date:2011-03-24
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis, characterization and biological evaluation of ureidofibrate-like derivatives endowed with peroxisome proliferator-activated receptor activity.
J.Med.Chem., 55, 2012
6HVC
DownloadVisualize
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
DownloadVisualize
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
6HVK
DownloadVisualize
BU of 6hvk by Molmil
Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor
Descriptor: Urotensin-2 receptor
Authors:Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D.
Deposit date:2018-10-11
Release date:2019-10-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
5LFH
DownloadVisualize
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
DownloadVisualize
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
6FCE
DownloadVisualize
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
6GJ4
DownloadVisualize
BU of 6gj4 by Molmil
Tubulin-6j complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate, CALCIUM ION, ...
Authors:Brindisi, M, Ulivieri, C, Alfano, G, Gemma, S, Balaguer, F.d.A, Khan, T, Grillo, A, Chemi, G, Menchon, G, Prota, A.E, Olieric, N, Agell, D.L, Barasoain, I, Diaz, J.F, Nebbioso, A, Conte, M.R, Lopresti, L, Magnano, S, Amet, R, Kinsella, P, Zisterer, D.M, Ibrahim, O, O'Sullivan, J, Morbidelli, L, Spaccapelo, R, Baldari, C, Butini, S, Novellino, E, Campiani, G, Altucci, L, Steinmetz, M.O, Brogi, S.
Deposit date:2018-05-16
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents.
Eur J Med Chem, 162, 2018
2KVY
DownloadVisualize
BU of 2kvy by Molmil
NMR solution structure of the 4:1 complex between an uncharged distamycin A analogue and [d(TGGGGT)]4
Descriptor: 4-amino-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide, DNA (5'-D(*TP*GP*GP*GP*GP*T)-3')
Authors:Cosconati, S, Marinelli, L, Trotta, R, Virno, A, De Tito, S, Romagnoli, R, Pagano, B, Limongelli, V, Giancola, C, Baraldi, P, Mayol, L, Novellino, E, Randazzo, A.
Deposit date:2010-03-29
Release date:2010-05-26
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structural and conformational requisites in DNA quadruplex groove binding: another piece to the puzzle.
J.Am.Chem.Soc., 132, 2010
2MKO
DownloadVisualize
BU of 2mko by Molmil
G-triplex structure and formation propensity
Descriptor: DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'), POTASSIUM ION
Authors:Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A.
Deposit date:2014-02-11
Release date:2014-11-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
2MKM
DownloadVisualize
BU of 2mkm by Molmil
G-triplex structure and formation propensity
Descriptor: DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3')
Authors:Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A.
Deposit date:2014-02-10
Release date:2014-11-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
2N7O
DownloadVisualize
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
DownloadVisualize
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
2N7N
DownloadVisualize
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
2O00
DownloadVisualize
BU of 2o00 by Molmil
NMR structure analysis of the Penetratin conjugated Gas (374-394) peptide
Descriptor: Penetratin conjugated Gas (374-394) peptide
Authors:D'Ursi, A.M, Rovero, P, Albrizio, S, Espsito, C, D'Errico, G, Novellino, E.
Deposit date:2006-11-27
Release date:2007-06-05
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Driving forces in the delivery of penetratin conjugated G protein fragment.
J.Med.Chem., 50, 2007
2NZZ
DownloadVisualize
BU of 2nzz by Molmil
NMR structure analysis of the Penetratin conjugated Gas (374-394) peptide
Descriptor: Penetratin conjugated Gas (374-394) peptide
Authors:D'Ursi, A.M, Rovero, P, Albrizio, S, Espsito, C, D'Errico, G, Novellino, E.
Deposit date:2006-11-27
Release date:2007-06-05
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Driving forces in the delivery of penetratin conjugated G protein fragment.
J.Med.Chem., 50, 2007
4E4K
DownloadVisualize
BU of 4e4k by Molmil
Crystal Structure of PPARgamma with the ligand JO21
Descriptor: (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
Deposit date:2012-03-13
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
4E4Q
DownloadVisualize
BU of 4e4q by Molmil
Crystal structure of PPARgamma with the ligand FS214
Descriptor: (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
Deposit date:2012-03-13
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
3D6D
DownloadVisualize
BU of 3d6d by Molmil
Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer)
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R.
Deposit date:2008-05-19
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
6XVW
DownloadVisualize
BU of 6xvw by Molmil
Catalytic domain of human PARP-1 in complex with the inhibitor MC2050
Descriptor: 1,2-ETHANEDIOL, 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one, NICKEL (II) ION, ...
Authors:Pfahler, J, Steegborn, C.
Deposit date:2020-01-22
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:From PARP1 to TNKS2 Inhibition: A Structure-Based Approach.
Acs Med.Chem.Lett., 11, 2020
7OSD
DownloadVisualize
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

 

123>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon