6FE6
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![BU of 6fe6 by Molmil](/molmil-images/mine/6fe6) | Solution structure of a last generation P2-P4 macrocyclic inhibitor | Descriptor: | (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide, Non-structural 3 protease, ZINC ION | Authors: | Gallo, M, Eliseo, T, Cicero, D.O. | Deposit date: | 2017-12-29 | Release date: | 2019-01-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a last generation macrocyclic inhibitor. Hepatitis C virus NS3 protease complex: when S prime region occupancy is not enough to stabilize the protein conformation in the absence of NS4A. To Be Published
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2K6L
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![BU of 2k6l by Molmil](/molmil-images/mine/2k6l) | The solution structure of XACb0070 from Xanthonomas axonopodis pv citri reveals this new protein is a member of the RHH family of transcriptional repressors | Descriptor: | Putative uncharacterized protein | Authors: | Gallo, M, Cicero, D.O, Amata, I, Eliseo, T, Paci, M, Spisni, A, Ferrari, E, Pertinhez, T.A, Farah, C.S. | Deposit date: | 2008-07-11 | Release date: | 2009-06-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The solution structure reveals that XACb0070 from the plant pathogen Xanthomonas citri belongs to the RHH superfamily of bacterial DNA-binding proteins To be Published
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2IMU
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![BU of 2imu by Molmil](/molmil-images/mine/2imu) | NMR structure of pep46 from the infectious bursal disease virus (IBDV) in dodecylphosphocholin (DPC). | Descriptor: | Structural polyprotein (PP) p1 | Authors: | Galloux, M, Libersou, S, Morellet, N, Bouaziz, S, Ouldali, M, Da Costa, B, Lepault, J, Delmas, B. | Deposit date: | 2006-10-05 | Release date: | 2007-06-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Cell entry of a dsRNA virus through pores induced by one of its structural peptides. To be Published
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2KCA
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![BU of 2kca by Molmil](/molmil-images/mine/2kca) | GP16 | Descriptor: | Bacteriophage SPP1 complete nucleotide sequence | Authors: | Gallopin, M, Gilquin, B, Zinn-Justin, S. | Deposit date: | 2008-12-18 | Release date: | 2009-06-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of bacteriophage SPP1 head-to-tail connection reveals mechanism for viral DNA gating. Proc.Natl.Acad.Sci.USA, 106, 2009
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2KBZ
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![BU of 2kbz by Molmil](/molmil-images/mine/2kbz) | |
5FTG
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![BU of 5ftg by Molmil](/molmil-images/mine/5ftg) | Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a) | Descriptor: | 1,2-ETHANEDIOL, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, CHOLINE KINASE ALPHA | Authors: | Schiaffino-Ortega, S, Baglioni, E, Mariotto, E, Bortolozzi, R, Serran-Aguilera, L, Rios-Marco, P, Carrasco-Jimenez, M.P, Gallo, M.A, Hurtado-Guerrero, R, Marco, C, Basso, G, Viola, G, Entrena, A, Lopez-Cara, L.C. | Deposit date: | 2016-01-13 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1) Sci.Rep., 6, 2016
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8B1L
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![BU of 8b1l by Molmil](/molmil-images/mine/8b1l) | |
4CG9
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![BU of 4cg9 by Molmil](/molmil-images/mine/4cg9) | Human choline kinase a1 in complex with compound 12 | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | Deposit date: | 2013-11-21 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57, 2014
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4CGA
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![BU of 4cga by Molmil](/molmil-images/mine/4cga) | Human choline kinase a1 in complex with compound 5 | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | Deposit date: | 2013-11-21 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57, 2014
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2MPB
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![BU of 2mpb by Molmil](/molmil-images/mine/2mpb) | NMR structure of BA42 protein from the psychrophilic bacteria Bizionia argentinensis sp. nov | Descriptor: | BA42 | Authors: | Cicero, D, Aran, M, Smal, C, Pellizza, L, Gallo, M. | Deposit date: | 2014-05-14 | Release date: | 2014-08-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain. Proteins, 82, 2014
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2LT2
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![BU of 2lt2 by Molmil](/molmil-images/mine/2lt2) | |
2K1Q
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![BU of 2k1q by Molmil](/molmil-images/mine/2k1q) | NMR structure of hepatitis c virus ns3 serine protease complexed with the non-covalently bound phenethylamide inhibitor | Descriptor: | NS3 PROTEASE, PHENETHYLAMIDE, ZINC ION | Authors: | Eliseo, T, Gallo, M, Pennestri, M, Bazzo, R, Cicero, D.O. | Deposit date: | 2008-03-13 | Release date: | 2009-02-03 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Binding of a noncovalent inhibitor exploiting the S' region stabilizes the hepatitis C virus NS3 protease conformation in the absence of cofactor. J.Mol.Biol., 385, 2009
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2KQA
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![BU of 2kqa by Molmil](/molmil-images/mine/2kqa) | The solution structure of the fungal elicitor Cerato-Platanin | Descriptor: | Cerato-platanin | Authors: | Oliveira, A.L, Gallo, M, Pazzagli, L, Cappugi, G, Scala, A, Cicero, D.O, Pantera, B, Spisni, A, Benedetti, C.E, Pertinhez, T.A. | Deposit date: | 2009-11-03 | Release date: | 2011-03-23 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | The solution structure of the fungal elicitor Cerato-Platanin To be Published
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4UC9
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![BU of 4uc9 by Molmil](/molmil-images/mine/4uc9) | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal dipeptide of the Phosphoprotein | Descriptor: | ASPARTIC ACID, NUCLEOPROTEIN, PHENYLALANINE, ... | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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4UC8
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![BU of 4uc8 by Molmil](/molmil-images/mine/4uc8) | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal phenylalanine of the Phosphoprotein | Descriptor: | GLYCEROL, NUCLEOPROTEIN, PHENYLALANINE, ... | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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4UCC
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![BU of 4ucc by Molmil](/molmil-images/mine/4ucc) | N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M76 | Descriptor: | 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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4UCE
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![BU of 4uce by Molmil](/molmil-images/mine/4uce) | N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M72 | Descriptor: | 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN, SULFATE ION | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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4UC7
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![BU of 4uc7 by Molmil](/molmil-images/mine/4uc7) | N-terminal globular domain of the RSV Nucleoprotein | Descriptor: | NUCLEOPROTEIN, SULFATE ION | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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4UC6
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![BU of 4uc6 by Molmil](/molmil-images/mine/4uc6) | N-terminal globular domain of the RSV Nucleoprotein | Descriptor: | NUCLEOPROTEIN, SULFATE ION | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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4UCB
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![BU of 4ucb by Molmil](/molmil-images/mine/4ucb) | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal peptide of the Phosphoprotein | Descriptor: | NUCLEOPROTEIN, PHOSPHOSPROTEIN, SULFATE ION | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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4UCD
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![BU of 4ucd by Molmil](/molmil-images/mine/4ucd) | N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M81 | Descriptor: | 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN, SULFATE ION | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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4UCA
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![BU of 4uca by Molmil](/molmil-images/mine/4uca) | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal peptide of the Phosphoprotein | Descriptor: | NUCLEOPROTEIN, PHOSPHOSPROTEIN, SULFATE ION | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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6YJL
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![BU of 6yjl by Molmil](/molmil-images/mine/6yjl) | |
8PDN
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![BU of 8pdn by Molmil](/molmil-images/mine/8pdn) | Spiral of assembled human metapneumovirus (HMPV) N-RNA | Descriptor: | Nucleoprotein, RNA | Authors: | Whitehead, J.D, Decool, H, Leyrat, C, Carrique, L, Fix, J, Eleouet, J.F, Galloux, M, Renner, M. | Deposit date: | 2023-06-12 | Release date: | 2023-12-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structure of the N-RNA/P interface indicates mode of L/P recruitment to the nucleocapsid of human metapneumovirus. Nat Commun, 14, 2023
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8PDR
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![BU of 8pdr by Molmil](/molmil-images/mine/8pdr) | Rigid body fit of assembled HMPV N-RNA spiral bound to the C-terminal region of P | Descriptor: | Nucleoprotein, Phosphoprotein, RNA | Authors: | Whitehead, J.D, Decool, H, Leyrat, C, Carrique, L, Fix, J, Eleouet, J.F, Galloux, M, Renner, M. | Deposit date: | 2023-06-12 | Release date: | 2023-12-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the N-RNA/P interface indicates mode of L/P recruitment to the nucleocapsid of human metapneumovirus. Nat Commun, 14, 2023
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