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 | | Last modified: | 2024-06-19 | | 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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5LL7
 | | Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | | Descriptor: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | | Deposit date: | 2016-07-26 | | Release date: | 2018-02-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance.
Chemmedchem, 13, 2018
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5MGI
 | | Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | | Descriptor: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | | Deposit date: | 2016-11-21 | | Release date: | 2018-03-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance.
Chemmedchem, 13, 2018
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2H1X
 | | Crystal structure of 5-hydroxyisourate Hydrolase (formerly known as TRP, Transthyretin Related Protein) | | Descriptor: | 5-hydroxyisourate Hydrolase (formerly known as TRP, Transthyretin Related Protein) | | Authors: | Zanotti, G, Cendron, L, Folli, C, Ramazzina, I, Percudani, R, Berni, R. | | Deposit date: | 2006-05-17 | | Release date: | 2006-10-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of Zebra fish HIUase: Insights into Evolution of an Enzyme to a Hormone Transporter.
J.Mol.Biol., 363, 2006
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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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6S32
 | | Crystal structure of ene-reductase CtOYE from Chroococcidiopsis thermalis. | | Descriptor: | ACETATE ION, BENZAMIDINE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Robescu, M.R, Niero, M, Hall, M, Bergantino, E, Cendron, L. | | Deposit date: | 2019-06-24 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
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6S1S
 | | Crystal structure of AmpC from Pseudomonas aeruginosa in complex with [3-(2-carboxyvinyl)phenyl]boronic acid] inhibitor | | Descriptor: | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Kekez, I, Vicario, M, Bellio, P, Tosoni, E, Celenza, G, Blazquez, J, Tondi, D, Cendron, L. | | Deposit date: | 2019-06-19 | | Release date: | 2019-10-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Phenylboronic Acids Probing Molecular Recognition against Class A and Class C beta-lactamases.
Antibiotics, 8, 2019
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6S23
 | | Crystal structure of ene-reductase GsOYE from Galleria sulphuraria in complex with 2-methyl-cyclopenten-1-one | | Descriptor: | 2-methylcyclopenta-2,4-dien-1-one, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Robescu, M.S, Niero, M, Hall, M, Bergantino, E, Cendron, L. | | Deposit date: | 2019-06-20 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
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6S31
 | | Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria in complex with 4-Hydroxybenzaldehyde | | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein, P-HYDROXYBENZALDEHYDE | | Authors: | Robescu, M.R, Niero, M, Hall, M, Bergantino, E, Cendron, L. | | Deposit date: | 2019-06-23 | | Release date: | 2020-01-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
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6S0G
 | | Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Robescu, M.R, Niero, M, Hall, M, Bergantino, E, Cendron, L. | | Deposit date: | 2019-06-14 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
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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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6T9X
 | | Crystal structure of formate dehydrogenase FDH2 D222Q/Q223R mutant enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and Azide. | | Descriptor: | AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | | Deposit date: | 2019-10-29 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 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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6T8C
 | | Crystal structure of formate dehydrogenase FDH2 enzyme from Granulicella mallensis MP5ACTX8 in the apo form. | | Descriptor: | Formate dehydrogenase | | Authors: | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | | Deposit date: | 2019-10-24 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | 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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6T7H
 | | Crystal structure of Thrombin in complex with macrocycle N14-PR4-A | | Descriptor: | (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Angelini, A, Kumar, M.G, Heinis, C, Cendron, L. | | Deposit date: | 2019-10-22 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Macrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries.
Chem Sci, 11, 2020
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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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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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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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6T9W
 | | Crystal structure of formate dehydrogenase FDH2 D222A/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide. | | Descriptor: | AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | | Deposit date: | 2019-10-29 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 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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