6QSS
 
 | | Crystal Structure of Ignicoccus islandicus malate dehydrogenase co-crystallized with 10 mM Tb-Xo4 | | Descriptor: | CHLORIDE ION, Malate dehydrogenase, TERBIUM(III) ION, ... | | Authors: | Roche, J, Girard, E, Madern, D. | | Deposit date: | 2019-02-21 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | SOLUTION SCATTERING (1.892 Å), X-RAY DIFFRACTION | | Cite: | The archaeal LDH-like malate dehydrogenase from Ignicoccus islandicus displays dual substrate recognition, hidden allostery and a non-canonical tetrameric oligomeric organization.
J.Struct.Biol., 208, 2019
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6H9S
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5LMW
 | | Llama nanobody PorM_02 | | Descriptor: | GLYCEROL, Nanobody | | Authors: | Roche, J, Gaubert, A, Leone, P, Roussel, A. | | Deposit date: | 2016-08-01 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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2MK3
 | | Solution NMR structure of gp41 ectodomain monomer on a DPC micelle | | Descriptor: | Transmembrane glycoprotein, chimeric construct | | Authors: | Roche, J, Louis, J.M, Grishaev, A, Ying, J, Bax, A. | | Deposit date: | 2014-01-23 | | Release date: | 2014-02-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Dissociation of the trimeric gp41 ectodomain at the lipid-water interface suggests an active role in HIV-1 Env-mediated membrane fusion.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6GZP
 | | Llama nanobody PorM_02 structure determined at room temperature by in-situ diffraction in ChipX microfluidic device | | Descriptor: | Nanobody | | Authors: | Roche, J, Gaubert, A, Desmyter, A, De Wijn, R, Sauter, C, Roussel, A. | | Deposit date: | 2018-07-04 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
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7Q3X
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7A1H
 | | Crystal structure of wild-type CI2 | | Descriptor: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | | Deposit date: | 2020-08-13 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
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7AON
 | | Crystal structure of CI2 double mutant L49I,I57V | | Descriptor: | GLYCEROL, SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | | Deposit date: | 2020-10-14 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
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7AOK
 | | Crystal structure of CI2 mutant L49I | | Descriptor: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | | Deposit date: | 2020-10-14 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
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8RWL
 | | Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ... | | Authors: | Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D. | | Deposit date: | 2024-02-05 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To Be Published
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7A3M
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9END
 | | Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 3 | | Descriptor: | CHLORIDE ION, Malate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Coquille, S, Roche, J, Girard, E, Madern, D. | | Deposit date: | 2024-03-12 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To be published
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2MJB
 | | Solution nmr structure of ubiquitin refined against dipolar couplings in 4 media | | Descriptor: | Ubiquitin-60S ribosomal protein L40 | | Authors: | Maltsev, A, Grishaev, A, Roche, J, Zasloff, M, Bax, A. | | Deposit date: | 2014-01-02 | | Release date: | 2014-03-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Improved cross validation of a static ubiquitin structure derived from high precision residual dipolar couplings measured in a drug-based liquid crystalline phase.
J.Am.Chem.Soc., 136, 2014
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6EY0
 | | N-terminal part (residues 30-212) of PorM with the llama nanobody nb01 | | Descriptor: | T9SS component cytoplasmic membrane protein PorM, llama nanobody nb01 | | Authors: | Leone, P, Roche, J, Cambillau, C, Roussel, A. | | Deposit date: | 2017-11-10 | | Release date: | 2018-02-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space.
Nat Commun, 9, 2018
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6EY4
 | | Periplasmic domain (residues 36-513) of GldM | | Descriptor: | 1,2-ETHANEDIOL, GldM | | Authors: | Leone, P, Roche, J, Cambillau, C, Roussel, A. | | Deposit date: | 2017-11-10 | | Release date: | 2018-02-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space.
Nat Commun, 9, 2018
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6BN5
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 F285S in Complex with Allosteric Inhibitor JLR-2 | | Descriptor: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | | Deposit date: | 2017-11-16 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.
Bioorg. Med. Chem., 25, 2017
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