3HOD
 
 | | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | | 分子名称: | (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. | | 登録日 | 2009-06-02 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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
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3HO0
 | | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | | 分子名称: | (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. | | 登録日 | 2009-06-01 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 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
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3R8I
 | | Crystal Structure of PPARgamma with an achiral ureidofibrate derivative (RT86) | | 分子名称: | 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Loiodice, F, Laghezza, A, Fracchiolla, G, Lavecchia, A, Novellino, E, Crestani, M. | | 登録日 | 2011-03-24 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis, characterization and biological evaluation of ureidofibrate-like derivatives endowed with peroxisome proliferator-activated receptor activity.
J.Med.Chem., 55, 2012
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4E4K
 | | Crystal Structure of PPARgamma with the ligand JO21 | | 分子名称: | (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E. | | 登録日 | 2012-03-13 | | 公開日 | 2013-01-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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
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4E4Q
 | | Crystal structure of PPARgamma with the ligand FS214 | | 分子名称: | (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E. | | 登録日 | 2012-03-13 | | 公開日 | 2013-01-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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
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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 | | 分子名称: | ACP-HIS-DPHE-ARG-TRP-ASP-NH2 | | 著者 | Brancaccio, D, Carotenuto, A, Grieco, P, Merlino, F, Zhou, Y, Cai, M, Yousif, A.M, Di Maro, S, Novellino, E, Hruby, V.J. | | 登録日 | 2017-12-20 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 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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5LFH
 | | NMR structure of peptide 10 targeting CXCR4 | | 分子名称: | ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS | | 著者 | 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. | | 登録日 | 2016-07-01 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 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
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5LFF
 | | NMR structure of peptide 2 targeting CXCR4 | | 分子名称: | ARG-ALA-CYS-ARG-PHE-PHE-CYS | | 著者 | 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. | | 登録日 | 2016-07-01 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 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
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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 | | 分子名称: | PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | 著者 | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | 登録日 | 2019-03-07 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 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. | | 分子名称: | PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | 著者 | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | 登録日 | 2019-03-07 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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6HVC
 | | NMR structure of Urotensin Peptide Asp-c[Cys-Phe-Trp-(N-Me)Lys-Tyr-Cys]-Val in SDS solution | | 分子名称: | Urotensin-2 | | 著者 | 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. | | 登録日 | 2018-10-10 | | 公開日 | 2019-01-16 | | 最終更新日 | 2019-04-24 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
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6HVB
 | | NMR structure of Urotensin Peptide Asp-c[Cys-Phe-(N-Me)Trp-Lys-Tyr-Cys]-Val in SDS solution | | 分子名称: | Urotensin-2 | | 著者 | 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. | | 登録日 | 2018-10-10 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
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6HVK
 | | Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor | | 分子名称: | Urotensin-2 receptor | | 著者 | 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. | | 登録日 | 2018-10-11 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
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6GJ4
 | | Tubulin-6j complex | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2018-05-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents.
Eur J Med Chem, 162, 2018
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2KVY
 | | NMR solution structure of the 4:1 complex between an uncharged distamycin A analogue and [d(TGGGGT)]4 | | 分子名称: | 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') | | 著者 | 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. | | 登録日 | 2010-03-29 | | 公開日 | 2010-05-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and conformational requisites in DNA quadruplex groove binding: another piece to the puzzle.
J.Am.Chem.Soc., 132, 2010
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2MKO
 | | G-triplex structure and formation propensity | | 分子名称: | DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'), POTASSIUM ION | | 著者 | Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A. | | 登録日 | 2014-02-11 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
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2NZZ
 | | NMR structure analysis of the Penetratin conjugated Gas (374-394) peptide | | 分子名称: | Penetratin conjugated Gas (374-394) peptide | | 著者 | D'Ursi, A.M, Rovero, P, Albrizio, S, Espsito, C, D'Errico, G, Novellino, E. | | 登録日 | 2006-11-27 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Driving forces in the delivery of penetratin conjugated G protein fragment.
J.Med.Chem., 50, 2007
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2O00
 | | NMR structure analysis of the Penetratin conjugated Gas (374-394) peptide | | 分子名称: | Penetratin conjugated Gas (374-394) peptide | | 著者 | D'Ursi, A.M, Rovero, P, Albrizio, S, Espsito, C, D'Errico, G, Novellino, E. | | 登録日 | 2006-11-27 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Driving forces in the delivery of penetratin conjugated G protein fragment.
J.Med.Chem., 50, 2007
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2N7T
 | | NMR structure of Peptide PG-992 in DPC micelles | | 分子名称: | Peptide PG-992 | | 著者 | Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P. | | 登録日 | 2015-09-17 | | 公開日 | 2015-12-16 | | 最終更新日 | 2017-10-11 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.
J.Med.Chem., 58, 2015
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2N7N
 | | NMR structure of Peptide PG-989 in DPC micelles | | 分子名称: | Peptide PG-989 | | 著者 | Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P. | | 登録日 | 2015-09-16 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-10-30 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.
J.Med.Chem., 58, 2015
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2MKM
 | | G-triplex structure and formation propensity | | 分子名称: | DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3') | | 著者 | Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A. | | 登録日 | 2014-02-10 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
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2N7O
 | | NMR Structure of Peptide PG-990 in DPC micelles | | 分子名称: | Peptide PG-990 | | 著者 | Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P. | | 登録日 | 2015-09-16 | | 公開日 | 2015-12-16 | | 最終更新日 | 2017-10-11 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.
J.Med.Chem., 58, 2015
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3D6D
 | | Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer) | | 分子名称: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R. | | 登録日 | 2008-05-19 | | 公開日 | 2008-12-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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
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3B3K
 | | Crystal structure of the complex between PPARgamma and the full agonist LT175 | | 分子名称: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | | 登録日 | 2007-10-22 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 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
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6MBP
 | | GLP Methyltransferase with Inhibitor EML741- P3121 Crystal Form | | 分子名称: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2018-08-30 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.947 Å) | | 主引用文献 | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
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