6G89
| Thaumatin solved by Native SAD from a dataset collected in 0.6 second with JUNGFRAU detector | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | Authors: | Leonarski, F, Olieric, V, Vera, L, Redford, S, Wang, M. | Deposit date: | 2018-04-08 | Release date: | 2018-08-01 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (2.359 Å) | Cite: | Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector. Nat. Methods, 15, 2018
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5CUH
| Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4 | Descriptor: | (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Tepshi, L, Vera, L, Nuti, E, Rosalia, L, Rossello, A, Stura, E.A. | Deposit date: | 2015-07-24 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models. Eur.J.Med.Chem., 111, 2016
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3LIR
| Human MMP12 in complex with non-zinc chelating inhibitor | Descriptor: | CALCIUM ION, GLYCINE, Macrophage metalloelastase, ... | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F. | Deposit date: | 2010-01-25 | Release date: | 2010-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. J.Biol.Chem., 285, 2010
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3LIL
| Human MMP12 in complex with non-zinc chelating inhibitor | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F. | Deposit date: | 2010-01-25 | Release date: | 2010-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. J.Biol.Chem., 285, 2010
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3LIK
| Human MMP12 in complex with non-zinc chelating inhibitor | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F. | Deposit date: | 2010-01-25 | Release date: | 2010-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. J.Biol.Chem., 285, 2010
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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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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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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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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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4ELC
| Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 | Descriptor: | (2S)-2-hydroxybutanedioic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Botulinum neurotoxin A light chain, ... | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V. | Deposit date: | 2012-04-10 | Release date: | 2012-08-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165. J.Biol.Chem., 287, 2012
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4EJ5
| Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, CARBONATE ION, ... | Authors: | Stura, E.A, Vera, L, Dive, V. | Deposit date: | 2012-04-06 | Release date: | 2012-08-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165. J.Biol.Chem., 287, 2012
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4EL4
| Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S/C165S double mutant | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, GLYCEROL, ... | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Dive, V. | Deposit date: | 2012-04-10 | Release date: | 2012-08-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165. J.Biol.Chem., 287, 2012
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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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4DO8
| Crystal structure of the muscarinic toxin MT1 | Descriptor: | ACETATE ION, Muscarinic toxin 1, THIOCYANATE ION | Authors: | Fruchart-Gaillard, C, Mournier, G, Vera, L, Servent, D, Stura, E.A. | Deposit date: | 2012-02-09 | Release date: | 2012-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors. Plos One, 7, 2012
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4H76
| Crystal structure of the catalytic domain of Human MMP12 in complex with a broad spectrum hydroxamate inhibitor | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-20 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4H84
| Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based inhibitor. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Stura, E.A, Antoni, C, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-21 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4H3X
| Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-14 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4HMA
| Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain | Descriptor: | CALCIUM ION, D-MALATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stura, E.A, Antoni, C, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A. | Deposit date: | 2012-10-18 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4H30
| Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Antoni, C, Stura, E.A, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-13 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4H49
| Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Antoni, C, Stura, E.A, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-17 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.16 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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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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4IYE
| Crystal structure of AdTx1 (rho-Da1a) from eastern green mamba (Dendroaspis angusticeps) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Toxin AdTx1 | Authors: | Stura, E.A, Vera, L, Maiga, A.A, Marchetti, C, Lorphelin, A, Bellanger, L, Servant, D, Gilles, N. | Deposit date: | 2013-01-28 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Crystallization of recombinant green mamba rho-Da1a toxin during a lyophilization procedure and its structure determination. Acta Crystallogr.,Sect.F, 69, 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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