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6ENM
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BU of 6enm by Molmil
Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168.
分子名称: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Vera, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-10-05
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
6EOX
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BU of 6eox by Molmil
Crystal structure of MMP12 in complex with carboxylic inhibitor LP165.
分子名称: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid, CALCIUM ION, Macrophage metalloelastase, ...
著者Vera, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-10-10
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
7BET
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BU of 7bet by Molmil
Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane
分子名称: FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta
著者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.
登録日2020-12-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
3TS4
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BU of 3ts4 by Molmil
Human MMP12 in complex with L-glutamate motif inhibitor
分子名称: CALCIUM ION, GLYCEROL, IMIDAZOLE, ...
著者Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L.
登録日2011-09-12
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.
J.Biol.Chem., 287, 2012
3TSK
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BU of 3tsk by Molmil
Human MMP12 in complex with L-glutamate motif inhibitor
分子名称: CALCIUM ION, Macrophage metalloelastase, N~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-glutaminyl-L-alpha-glutamine, ...
著者Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L.
登録日2011-09-13
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.
J.Biol.Chem., 287, 2012
6I59
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BU of 6i59 by Molmil
Long wavelength native-SAD phasing of Sen1 helicase
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者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.
登録日2018-11-13
公開日2019-03-13
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
4XCT
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BU of 4xct by Molmil
Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain.
分子名称: (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ...
著者Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A.
登録日2014-12-18
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
6I5C
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BU of 6i5c by Molmil
Long wavelength native-SAD phasing of Tubulin-Stathmin-TTL complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者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.
登録日2018-11-13
公開日2019-03-13
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
4WZV
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BU of 4wzv by Molmil
Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain
分子名称: (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, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A.
登録日2014-11-20
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
5M4V
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BU of 5m4v by Molmil
X-ray structure of the mambaquaretin-1, a selective antagonist of the vasopressin type 2 receptor
分子名称: CHLORIDE ION, Mambaquaretin-1, S-1,2-PROPANEDIOL
著者Stura, E.A, Vera, L, Ciolek, J, Mourier, G, Gilles, N.
登録日2016-10-19
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Green mamba peptide targets type-2 vasopressin receptor against polycystic kidney disease.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6S0L
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BU of 6s0l by Molmil
Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns
分子名称: (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, ...
著者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.
登録日2019-06-17
公開日2020-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S19
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BU of 6s19 by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者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.
登録日2019-06-18
公開日2020-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S1D
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BU of 6s1d by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from 20,000 diffraction patterns
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者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.
登録日2019-06-18
公開日2020-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S1G
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BU of 6s1g by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from 50,000 diffraction patterns.
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者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.
登録日2019-06-18
公開日2020-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S0Q
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BU of 6s0q by Molmil
Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns
分子名称: (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, ...
著者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.
登録日2019-06-18
公開日2020-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
7AT6
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BU of 7at6 by Molmil
Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane
分子名称: L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ...
著者Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B.
登録日2020-10-29
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
6S1E
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BU of 6s1e by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from all available diffraction patterns
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者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.
登録日2019-06-18
公開日2020-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
5C5A
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BU of 5c5a by Molmil
Crystal Structure of HDM2 in complex with Nutlin-3a
分子名称: 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
著者Orts, J, Waelti, M.A, Marsh, M, Vera, L, Gossert, A.D, Guentert, P, Riek, R.
登録日2015-06-19
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.146 Å)
主引用文献NMR Molecular Replacement, NMR2
To Be Published
5CSE
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BU of 5cse by Molmil
Streptavidin-S112Y-K121E Complexed with Palladium-Containing Biotin Ligand
分子名称: CHLORIDE ION, Streptavidin, chloro{di-tert-butyl[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~C~1~,C~3~)palladium
著者Finke, A.D, Vera, L, Marsh, M, Chatterjee, A, Ward, T.R.
登録日2015-07-23
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献An enantioselective artificial Suzukiase based on the biotin-streptavidin technology.
Chem Sci, 7, 2016
7AC4
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BU of 7ac4 by Molmil
Structure of insulin collected by rotation serial crystallography on a COC membrane at a synchrotron source
分子名称: Insulin, R-1,2-PROPANEDIOL, SODIUM ION
著者Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M.
登録日2020-09-09
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
7AC2
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BU of 7ac2 by Molmil
Structure of Hen Egg White Lysozyme collected by rotation serial crystallography on a COC membrane at a synchrotron source
分子名称: CHLORIDE ION, Lysozyme, SODIUM ION
著者Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M.
登録日2020-09-09
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.507 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
7AC3
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BU of 7ac3 by Molmil
Structure of thaumatin collected by rotation serial crystallography on a COC membrane at a synchrotron source
分子名称: L(+)-TARTARIC ACID, S-1,2-PROPANEDIOL, SODIUM ION, ...
著者Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M.
登録日2020-09-09
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
3TVC
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BU of 3tvc by Molmil
Human MMP13 in complex with L-glutamate motif inhibitor
分子名称: CALCIUM ION, Collagenase 3, DI(HYDROXYETHYL)ETHER, ...
著者Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L, Cassar-Lajeunesse, E.
登録日2011-09-20
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.
J.Biol.Chem., 287, 2012
3TT4
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BU of 3tt4 by Molmil
Human MMP8 in complex with L-glutamate motif inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Neutrophil collagenase, ...
著者Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L.
登録日2011-09-14
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.
J.Biol.Chem., 287, 2012
6G89
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BU of 6g89 by Molmil
Thaumatin solved by Native SAD from a dataset collected in 0.6 second with JUNGFRAU detector
分子名称: L(+)-TARTARIC ACID, Thaumatin I
著者Leonarski, F, Olieric, V, Vera, L, Redford, S, Wang, M.
登録日2018-04-08
公開日2018-08-01
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.359 Å)
主引用文献Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector.
Nat. Methods, 15, 2018

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