6ENM
 
 | | Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168. | | Descriptor: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | | Deposit date: | 2017-10-05 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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6EOX
 | | Crystal structure of MMP12 in complex with carboxylic inhibitor LP165. | | Descriptor: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | | Deposit date: | 2017-10-10 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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4XCT
 | | Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain. | | Descriptor: | (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ... | | Authors: | Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A. | | Deposit date: | 2014-12-18 | | Release date: | 2015-04-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
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4WZV
 | | Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain | | Descriptor: | (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... | | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | Deposit date: | 2014-11-20 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
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5M4V
 | | X-ray structure of the mambaquaretin-1, a selective antagonist of the vasopressin type 2 receptor | | Descriptor: | CHLORIDE ION, Mambaquaretin-1, S-1,2-PROPANEDIOL | | Authors: | Stura, E.A, Vera, L, Ciolek, J, Mourier, G, Gilles, N. | | Deposit date: | 2016-10-19 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Green mamba peptide targets type-2 vasopressin receptor against polycystic kidney disease.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7BET
 | | Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane | | Descriptor: | FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta | | Authors: | Aurelius, O, John, J, Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Hogbom, M, Wang, M, Pedrini, B. | | Deposit date: | 2020-12-24 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
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6S0L
 | | Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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6I59
 | | Long wavelength native-SAD phasing of Sen1 helicase | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M. | | Deposit date: | 2018-11-13 | | Release date: | 2019-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
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3TS4
 | | Human MMP12 in complex with L-glutamate motif inhibitor | | Descriptor: | CALCIUM ION, GLYCEROL, IMIDAZOLE, ... | | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | | Deposit date: | 2011-09-12 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.587 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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3TSK
 | | Human MMP12 in complex with L-glutamate motif inhibitor | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-glutaminyl-L-alpha-glutamine, ... | | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | | Deposit date: | 2011-09-13 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 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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3TVC
 | | Human MMP13 in complex with L-glutamate motif inhibitor | | Descriptor: | CALCIUM ION, Collagenase 3, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L, Cassar-Lajeunesse, E. | | Deposit date: | 2011-09-20 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.43 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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3TT4
 | | Human MMP8 in complex with L-glutamate motif inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Neutrophil collagenase, ... | | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | | Deposit date: | 2011-09-14 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.88 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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6S19
 | | Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.Ch. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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6S1D
 | | Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from 20,000 diffraction patterns | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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6S1G
 | | Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from 50,000 diffraction patterns. | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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6S0Q
 | | Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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6S1E
 | | Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from all available diffraction patterns | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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6I5C
 | | Long wavelength native-SAD phasing of Tubulin-Stathmin-TTL complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M. | | Deposit date: | 2018-11-13 | | Release date: | 2019-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
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7AT6
 | | Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane | | Descriptor: | L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ... | | Authors: | Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B. | | Deposit date: | 2020-10-29 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
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5NJM
 | | Lysozyme room-temperature structure determined by serial millisecond crystallography | | Descriptor: | Lysozyme C | | Authors: | Weinert, T, Vera, L, Marsh, M, James, D, Gashi, D, Nogly, P, Jaeger, K, Standfuss, J. | | Deposit date: | 2017-03-29 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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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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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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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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3LJG
 | | Human MMP12 in complex with non-zinc chelating inhibitor | | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Stura, E.A, Dive, V, Devel, L, Vera, L, Beau, F. | | Deposit date: | 2010-01-26 | | Release date: | 2010-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.313 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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