6Z48
 
 | | Crystal structure of Thrombin in complex with macrocycle X1vE | | Descriptor: | 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Angelini, A, Habeshian, S, Heinis, C, Cendron, L. | | Deposit date: | 2020-05-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
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4KZS
 | | Crystal structure of the secreted protein HP1454 from the human pathogen Helicobacter pylori | | Descriptor: | LPP20 lipofamily protein, PENTAETHYLENE GLYCOL | | Authors: | Quarantini, S, Cendron, L, Fischer, W, Zanotti, G. | | Deposit date: | 2013-05-30 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the secreted protein HP1454 from the human pathogen Helicobacter pylori.
Proteins, 82, 2014
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4LS3
 | | THE crystal STRUCTURE OF HELICOBACTER PYLORI CEUE(HP1561)/NI-HIS COMPL | | Descriptor: | HISTIDINE, NICKEL (II) ION, Nickel (III) ABC transporter, ... | | Authors: | Salamina, M, Shaik, M.M, Cendron, L, Zanotti, G. | | Deposit date: | 2013-07-22 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Helicobacter pylori periplasmic receptor CeuE (HP1561) modulates its nickel affinity via organic metallophores.
Mol.Microbiol., 91, 2014
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7ZRR
 | | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965 | | Descriptor: | 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, AMINO GROUP, ... | | Authors: | Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L. | | Deposit date: | 2022-05-05 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965
To Be Published
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7ZRT
 | | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970 | | Descriptor: | 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L. | | Deposit date: | 2022-05-05 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970
To Be Published
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8ASE
 | | Crystal structure of Thrombin in complex with macrocycle T3 | | Descriptor: | (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. | | Deposit date: | 2022-08-19 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3
To Be Published
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8ASF
 | | Crystal structure of Thrombin in complex with macrocycle T1 | | Descriptor: | 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide, Thrombin heavy chain, Thrombin light chain | | Authors: | Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. | | Deposit date: | 2022-08-19 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3
To Be Published
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8BXX
 | | Crystal structure of formate dehydrogenase FDH2 enzyme from Granulicella mallensis MP5ACTX8 in complex with NAD and azide. | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, Formate dehydrogenase, ... | | Authors: | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | | Deposit date: | 2022-12-10 | | Release date: | 2023-01-18 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | From the amelioration of a NADP+-dependent formate dehydrogenase to the discovery of a new enzyme: round trip from theory to practice
ChemCatChem, 2020
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3IBX
 | | Crystal structure of F47Y variant of TenA (HP1287) from Helicobacter pylori | | Descriptor: | Putative thiaminase II | | Authors: | Barison, N, Cendron, L, Trento, A, Angelini, A, Zanotti, G. | | Deposit date: | 2009-07-17 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and mutational analysis of TenA protein (HP1287) from the Helicobacter pylori thiamin salvage pathway - evidence of a different substrate specificity.
Febs J., 276, 2009
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3ISL
 | | Crystal structure of ureidoglycine-glyoxylate aminotransferase (pucG) from Bacillus subtilis | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Purine catabolism protein pucG | | Authors: | Costa, R, Cendron, L, Ramazzina, I, Berni, R, Peracchi, A, Percudani, R, Zanotti, G. | | Deposit date: | 2009-08-26 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Amino acids from purines in GUT bacteria
To be Published
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8B0V
 | | Crystal structure of C-terminal domain of Pseudomonas aeruginosa LexA G91D mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Vascon, F, De Felice, S, Chinellato, M, Maso, L, Cendron, L. | | Deposit date: | 2022-09-08 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural investigations on the SOS response in Pseudomonas aeruginosa
To Be Published
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4INO
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4INP
 | | The crystal structure of Helicobacter pylori Ceue (HP1561) with Ni(II) bound | | Descriptor: | ACETATE ION, Iron (III) ABC transporter, periplasmic iron-binding protein, ... | | Authors: | Shaik, M.M, Cendron, L, Zanotti, G. | | Deposit date: | 2013-01-05 | | Release date: | 2014-01-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Helicobacter pylori periplasmic receptor CeuE (HP1561) modulates its nickel affinity via organic metallophores.
Mol.Microbiol., 91, 2014
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4INN
 | | Protein HP1028 from the human pathogen Helicobacter pylori belongs to the lipocalin family | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, HP1028 | | Authors: | Barison, N, Cendron, L, Loconte, V, Zanotti, G. | | Deposit date: | 2013-01-05 | | Release date: | 2013-07-31 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Protein HP1028 from the human pathogen Helicobacter pylori belongs to the lipocalin family.
Acta Crystallogr.,Sect.D, 69, 2013
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2PZH
 | | YbgC thioesterase (Hp0496) from Helicobacter pylori | | Descriptor: | Hypothetical protein HP_0496 | | Authors: | Angelini, A, Cendron, L, Goncalves, S, Zanotti, G, Terradot, L. | | Deposit date: | 2007-05-18 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and enzymatic characterization of HP0496, a YbgC thioesterase from Helicobacter pylori.
Proteins, 72, 2008
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7BN7
 | | Crystal structure of ene-reductase OYE2 from S. cerevisiae | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, OYE2 isoform 1 | | Authors: | Robescu, M.S, Bergantino, E, Hall, M, Cendron, L. | | Deposit date: | 2021-01-21 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
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7BO0
 | | Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria in complex with alpha-angelica lactone | | Descriptor: | 5-methyl-3~{H}-furan-2-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein | | Authors: | Robescu, M.S, Bergantino, E, Hall, M, Cendron, L. | | Deposit date: | 2021-01-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
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7BLF
 | | Crystal structure of ene-reductase OYE4 from Botryotinia fuckeliana (BfOYE4) | | Descriptor: | FLAVIN MONONUCLEOTIDE, FORMIC ACID, Oxidored_FMN domain-containing protein | | Authors: | Robescu, M.S, Bergantino, E, Hall, M, Cendron, L. | | Deposit date: | 2021-01-18 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
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7BN6
 | | Crystal structure of G. sulphuraria ene-reductase GsOYE in complex with b-angelica lactone | | Descriptor: | (2~{R})-2-methyl-2~{H}-furan-5-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein | | Authors: | Robescu, M.S, Bergantino, E, Hall, M, Cendron, L. | | Deposit date: | 2021-01-21 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
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6TGD
 | | Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31 | | Descriptor: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione, CALCIUM ION, Metallo-beta-lactamase NDM-1, ... | | Authors: | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2019-11-15 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
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6TGI
 | | Crystal structure of VIM-2 in complex with triazole-based inhibitor OP24 | | Descriptor: | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol, FORMIC ACID, Vim-1, ... | | Authors: | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2019-11-15 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
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6TS9
 | | Crystal structure of GES-5 carbapenemase | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ... | | Authors: | Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L. | | Deposit date: | 2019-12-20 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeting the Class A Carbapenemase GES-5 via Virtual Screening.
Biomolecules, 10, 2020
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3CEI
 | | Crystal Structure of Superoxide Dismutase from Helicobacter pylori | | Descriptor: | FE (III) ION, SULFATE ION, Superoxide dismutase | | Authors: | Esposito, L, Seydel, A, Aiello, R, Sorrentino, G, Cendron, L, Zanotti, G, Zagari, A. | | Deposit date: | 2008-02-29 | | Release date: | 2008-06-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension
Biochim.Biophys.Acta, 1784, 2008
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3SXP
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3QN7
 | | Potent and selective bicyclic peptide inhibitor (UK18) of human urokinase-type plasminogen activator(uPA) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, Bicyclic peptide inhibitor, Urokinase-type plasminogen activator | | Authors: | Angelini, A, Cendron, L, Touati, J, Winter, G, Zanotti, G, Heinis, C. | | Deposit date: | 2011-02-08 | | Release date: | 2012-02-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bicyclic peptide inhibitor reveals large contact interface with a protease target
Acs Chem.Biol., 7, 2012
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