4JQG
| Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate with a fluorine atom. | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, CALCIUM ION, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Tranchant, I, Amoura, M, Dive, V. | Deposit date: | 2013-03-20 | Release date: | 2014-03-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9. Chem.Biol., 21, 2014
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4KS6
| Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 166-174 stretch | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stura, E.A, Vera, L, Guitot, K, Dive, V. | Deposit date: | 2013-05-17 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A To be Published
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4KUF
| Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 causing stretch disorder | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, ... | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V. | Deposit date: | 2013-05-22 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A To be Published
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4KTX
| Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 167-174 stretch | Descriptor: | Botulinum neurotoxin A light chain, GLYCEROL, Peptide inhibitor MPT-DPP-ARG-G-LEU-NH2, ... | Authors: | Stura, E.A, Vera, L, Guitot, K, Dive, V. | Deposit date: | 2013-05-21 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A To be Published
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4EFS
| Human MMP12 in complex with L-glutamate motif inhibitor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | Deposit date: | 2012-03-30 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins. J.Biol.Chem., 287, 2012
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4GQL
| Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1 | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4GR3
| Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.494 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4H1Q
| Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor. | Descriptor: | CALCIUM ION, Matrix metalloproteinase-9, N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. | Deposit date: | 2012-09-11 | Release date: | 2013-04-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4H2E
| Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains | Descriptor: | ACETATE ION, BICINE, CALCIUM ION, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. | Deposit date: | 2012-09-12 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4GR8
| Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C | Descriptor: | CALCIUM ION, IMIDAZOLE, Macrophage metalloelastase, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4GR0
| Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a lanyl-L-alaninamide, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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5N7C
| Human TTR altered conformation from soaking in CuCl2. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COPPER (II) ION, ... | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | Deposit date: | 2017-02-20 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Copper mediated amyloid-beta binding to Transthyretin. Sci Rep, 8, 2018
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5N62
| Human TTR crystals soaked in manganese chloride. | Descriptor: | MANGANESE (II) ION, Transthyretin | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | Deposit date: | 2017-02-14 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Copper mediated amyloid-beta binding to Transthyretin. Sci Rep, 8, 2018
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1EBA
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1DEE
| Structure of S. aureus protein A bound to a human IgM Fab | Descriptor: | IGM RF 2A2, IMMUNOGLOBULIN G BINDING PROTEIN A | Authors: | Graille, M, Stura, E.A, Corper, A.L, Sutton, B.J, Taussig, M.J, Charbonnier, J.B, Silverman, G.J. | Deposit date: | 1999-11-15 | Release date: | 2000-05-24 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a Staphylococcus aureus protein A domain complexed with the Fab fragment of a human IgM antibody: structural basis for recognition of B-cell receptors and superantigen activity. Proc.Natl.Acad.Sci.USA, 97, 2000
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1DUT
| FIV DUTP PYROPHOSPHATASE | Descriptor: | DUTP PYROPHOSPHATASE, MAGNESIUM ION | Authors: | Prasad, G.S, Stura, E.A, Mcree, D.E, Laco, G.S, Hasselkus-Light, C, Elder, J.H, Stout, C.D. | Deposit date: | 1996-09-15 | Release date: | 1997-01-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of dUTP pyrophosphatase from feline immunodeficiency virus. Protein Sci., 5, 1996
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1EBP
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2VLW
| Crystal structure of the muscarinic toxin MT7 diiodoTYR51 derivative. | Descriptor: | ACETATE ION, MUSCARINIC M1-TOXIN1, SULFATE ION | Authors: | Menez, R, Granata, V, Mourier, G, Fruchart-Gaillard, C, Menez, A, Servant, D, Stura, E.A. | Deposit date: | 2008-01-17 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Different Interactions between Mt7 Toxin and the Human Muscarinic M1 Receptor in its Free and N-Methylscopolamine-Occupied States. Mol.Pharmacol., 74, 2008
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5EZP
| Human transthyretin (TTR) complexed with 4-hydroxy-chalcone | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-chalcone, Transthyretin | Authors: | Polsinelli, I, Nencetti, S, Shepard, W.E, Orlandini, E, Stura, E.A. | Deposit date: | 2015-11-26 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new crystal form of human transthyretin obtained with a curcumin derived ligand. J.Struct.Biol., 194, 2016
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2J6E
| Crystal Structure of an Autoimmune Complex between a Human IgM Rheumatoid Factor and IgG1 Fc reveals a Novel Fc Epitope and Evidence for Affinity Maturation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ... | Authors: | Duquerroy, S, Stura, E.A, Bressanelli, S, Browne, H, Beale, D, Hamon, M, Casali, P, Vaney, M.C, Rey, F.A, Sutton, B.J, Taussig, M.J. | Deposit date: | 2006-09-28 | Release date: | 2007-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of a human autoimmune complex between IgM rheumatoid factor RF61 and IgG1 Fc reveals a novel epitope and evidence for affinity maturation. J.Mol.Biol., 368, 2007
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4TQP
| Human transthyretin (TTR) complexed with (R)-3-(9H-fluoren-9-ylideneaminooxy)-2-methyl-N-(methylsulfonyl) propionamide in a dual binding mode | Descriptor: | (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide, GLYCEROL, Transthyretin | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2014-06-11 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4TQ8
| Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR) | Descriptor: | 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | Authors: | Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A. | Deposit date: | 2014-06-10 | Release date: | 2015-06-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4TQH
| Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid | Descriptor: | 1,2-ETHANEDIOL, Transthyretin, [(9H-fluoren-9-ylideneamino)oxy]acetic acid | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2014-06-11 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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5L7F
| Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | Authors: | Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | Deposit date: | 2016-06-03 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes. Bioconjug.Chem., 27, 2016
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5L79
| Crystal structure of MMP12 in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21212. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CY5.5-PEG2, ... | Authors: | Tepshi, L, Bordenave, T, Devel, L, Dive, V, Stura, E.A. | Deposit date: | 2016-06-02 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes. Bioconjug.Chem., 27, 2016
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