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4Q0C
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BU of 4q0c by Molmil
3.1 A resolution crystal structure of the B. pertussis BvgS periplasmic domain
Descriptor: Virulence sensor protein BvgS
Authors:Dupre, E, Herrou, J, Lensink, M.F, Wintjens, R, Lebedev, A, Crosson, S, Villeret, V, Locht, C, Antoine, R, Jacob-Dubuisson, F.
Deposit date:2014-04-01
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Virulence Regulation with Venus Flytrap Domains: Structure and Function of the Periplasmic Moiety of the Sensor-Kinase BvgS.
Plos Pathog., 11, 2015
7NTT
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BU of 7ntt by Molmil
Crystal structure of the SARS-CoV-2 Main Protease
Descriptor: 3C-like proteinase, FORMIC ACID, SODIUM ION
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.743 Å)
Cite:Crystal structure of the SARS-CoV-2 Main Protease
To Be Published
7NTW
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BU of 7ntw by Molmil
Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.815 Å)
Cite:Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
To Be Published
6ZJ8
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BU of 6zj8 by Molmil
Structure of the PAS domain from Bordetella pertussis BvgS
Descriptor: Virulence sensor protein BvgS
Authors:Clantin, B, Dupre, E, Jacob-Dubuisson, F, Villeret, V.
Deposit date:2020-06-28
Release date:2020-11-11
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into the role of the PAS domainfor signal transduction in sensor-kinase BvgS.
J.Bacteriol., 203, 2021
8OPI
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BU of 8opi by Molmil
VHH Z70 mutant 1 in interaction with PHF6 Tau peptide
Descriptor: PHF6 Tau peptide, VHH Z70 mutant 1
Authors:Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I.
Deposit date:2023-04-07
Release date:2023-05-31
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the Tau intrinsically disordered protein.
J.Biol.Chem., 2024
8OP0
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BU of 8op0 by Molmil
VHH Z70 mutant 20 in interaction with PHF6 Tau peptide
Descriptor: Tau PHF6 peptide, VHH Z70 mutant 20
Authors:Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I.
Deposit date:2023-04-06
Release date:2023-05-31
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the Tau intrinsically disordered protein.
J.Biol.Chem., 2024
8PII
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BU of 8pii by Molmil
VHH Z70 mutant 3 in interaction with PHF6 Tau peptide
Descriptor: Microtubule-associated protein tau, VHH Z70 Mutant 3
Authors:Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I.
Deposit date:2023-06-21
Release date:2023-07-05
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the Tau intrinsically disordered protein.
J.Biol.Chem., 2024
7NTQ
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BU of 7ntq by Molmil
Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
3MPK
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BU of 3mpk by Molmil
Crystal Structure of Bordetella pertussis BvgS periplasmic VFT2 domain
Descriptor: ACETATE ION, GLYCEROL, Virulence sensor protein bvgS
Authors:Herrou, J, Bompard, C, Wintjens, R, Dupre, E, Willery, E, Villeret, V, Locht, C, Antoine, R, Jacob-Dubuisson, F.
Deposit date:2010-04-27
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Periplasmic domain of the sensor-kinase BvgS reveals a new paradigm for the Venus flytrap mechanism.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MPL
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BU of 3mpl by Molmil
Crystal Structure of Bordetella pertussis BvgS VFT2 domain (Double Mutant F375E/Q461E)
Descriptor: 1,2-ETHANEDIOL, Virulence sensor protein bvgS
Authors:Herrou, J, Bompard, C, Wintjens, R, Dupre, E, Willery, E, Villeret, V, Locht, C, Antoine, R, Jacob-Dubuisson, F.
Deposit date:2010-04-27
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Periplasmic domain of the sensor-kinase BvgS reveals a new paradigm for the Venus flytrap mechanism.
Proc.Natl.Acad.Sci.USA, 107, 2010
7QCQ
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BU of 7qcq by Molmil
VHH Z70 in interaction with PHF6 Tau peptide
Descriptor: GLYCEROL, Tau 301-312, VHH Z70
Authors:Danis, C, Dupre, E, Zejneli, O, Caillierez, R, Arrial, A, Begard, S, Loyens, A, Mortelecque, J, Cantrelle, F.-X, Hanoulle, X, Rain, J.-C, Colin, M, Buee, L, Landrieu, I.
Deposit date:2021-11-25
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Tau seeding by targeting Tau nucleation core within neurons with a single domain antibody fragment.
Mol.Ther., 30, 2022
7NLC
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BU of 7nlc by Molmil
Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide
Descriptor: AMMONIUM ION, CHLORIDE ION, Protein ORF3, ...
Authors:Moschidi, D, Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide
To Be Published
7NTS
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BU of 7nts by Molmil
Crystal structure of the SARS-CoV-2 Main Protease with oxidized C145
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, GLYCEROL, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.477 Å)
Cite:NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.
Angew.Chem.Int.Ed.Engl., 60, 2021
8AEB
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BU of 8aeb by Molmil
SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(pyridin-3-ylmethyl)thioformamide, ...
Authors:Hanoulle, X, Charton, J, Deprez, B.
Deposit date:2022-07-12
Release date:2023-03-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
4QKY
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BU of 4qky by Molmil
Crystal Structure Analysis of the Membrane Transporter FhaC
Descriptor: Filamentous hemagglutinin transporter protein FhaC, PHOSPHATE ION
Authors:Maier, T, Clantin, B, Gruss, F, Dewitte, F, Delattre, A.S, Jacob-Dubuisson, F, Hiller, S, Villeret, V.
Deposit date:2014-06-10
Release date:2014-10-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conserved Omp85 lid-lock structure and substrate recognition in FhaC
Nat Commun, 6, 2015

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