1FAV
 
 | | THE STRUCTURE OF AN HIV-1 SPECIFIC CELL ENTRY INHIBITOR IN COMPLEX WITH THE HIV-1 GP41 TRIMERIC CORE | | Descriptor: | HIV-1 ENVELOPE PROTEIN CHIMERA, PROTEIN (TRANSMEMBRANE GLYCOPROTEIN) | | Authors: | Zhou, G, Ferrer, M, Chopra, R, Strassmaier, T, Weissenhorn, W, Skehel, J.J, Oprian, D, Schreiber, S.L, Harrison, S.C, Wiley, D.C. | | Deposit date: | 2000-07-13 | | Release date: | 2000-08-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core.
Bioorg.Med.Chem., 8, 2000
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6QX5
 | | Crystal structure of T7 bacteriophage portal protein, 12mer, closed valve | | Descriptor: | Portal protein | | Authors: | Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | | Deposit date: | 2019-03-07 | | Release date: | 2019-09-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism.
Nat Commun, 10, 2019
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6R21
 | | Cryo-EM structure of T7 bacteriophage fiberless tail complex | | Descriptor: | Portal protein, Tail tubular protein gp11, Tail tubular protein gp12 | | Authors: | Cuervo, A, Fabrega-Ferrer, M, Machon, C, Conesa, J.J, Perez-Ruiz, M, Coll, M, Carrascosa, J.L. | | Deposit date: | 2019-03-15 | | Release date: | 2019-09-04 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism.
Nat Commun, 10, 2019
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7P35
 | | Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir | | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Fabrega-Ferrer, M, Perez-Saavedra, J, Herrera-Morande, A, Coll, M. | | Deposit date: | 2021-07-07 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.256 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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4I3F
 | | Crystal structure of serine hydrolase CCSP0084 from the polyaromatic hydrocarbon (PAH)-degrading bacterium Cycloclasticus zankles | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Stogios, P.J, Xu, X, Dong, A, Cui, H, Alcaide, M, Tornes, J, Gertler, C, Yakimov, M.M, Golyshin, P.N, Ferrer, M, Savchenko, A. | | Deposit date: | 2012-11-26 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Single residues dictate the co-evolution of dual esterases: MCP hydrolases from the alpha / beta hydrolase family.
Biochem.J., 454, 2013
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6QWP
 | | Crystal structure of T7 bacteriophage portal protein, 13mer, closed valve | | Descriptor: | Portal protein | | Authors: | Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | | Deposit date: | 2019-03-06 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism.
Nat Commun, 10, 2019
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6QXM
 | | Cryo-EM structure of T7 bacteriophage portal protein, 12mer, open valve | | Descriptor: | Portal protein | | Authors: | Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | | Deposit date: | 2019-03-07 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism.
Nat Commun, 10, 2019
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5JD3
 | | Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, LAE5, ... | | Authors: | Stogios, P.J, Xu, X, Nocek, B, Cui, H, Yim, V, Martinez-Martinez, M, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | To be published
To Be Published
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5JD4
 | | Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Xu, X, Alcaide, M, Yim, V, Cui, H, Martinez-Martinez, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
To Be Published
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5JD5
 | | Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy | | Descriptor: | CHLORIDE ION, MGS-MilE3 | | Authors: | Stogios, P.J, Xu, X, Cui, H, Martinez-Martinez, M, Chernikova, T.N, Golyshin, P.N, Yakimov, M.M, Ferrer, M, Savchenko, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
To Be Published
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5JD6
 | | Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco | | Descriptor: | MGS-MChE2 | | Authors: | Stogios, P.J, Xu, X, Nocek, B, Yim, V, Cui, H, Martinez-Martinez, M, Golyshin, P.N, Yakima, M.M, Ferrer, M, Savchenko, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco
To Be Published
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7QX0
 | | Transaminase Structure of Plurienzyme (Tr2E2) in complex with PLP | | Descriptor: | Aminotransferase TR2, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | | Deposit date: | 2022-01-26 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
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7QX3
 | | Structure of the transaminase TR2E2 with EOS | | Descriptor: | 2-azanylethyl hydrogen sulfate, Aminotransferase TR2 | | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | | Deposit date: | 2022-01-26 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7QYF
 | | Structure of the transaminase PluriZyme variant (TR2E2) | | Descriptor: | Aminotransferase TR2 | | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | | Deposit date: | 2022-01-28 | | Release date: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
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7QYG
 | | Structure of the transaminase TR2 | | Descriptor: | Aminotransferase TR2 | | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | | Deposit date: | 2022-01-28 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
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6TJP
 | | Crystal structure of T7 bacteriophage portal protein, 13mer, closed valve - P212121 | | Descriptor: | Portal protein | | Authors: | Fabrega-Ferrer, M, Cuervo, A, Fernandez, F.J, Machon, C, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | | Deposit date: | 2019-11-26 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | Using a partial atomic model from medium-resolution cryo-EM to solve a large crystal structure.
Acta Crystallogr D Struct Biol, 77, 2021
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8B4D
 | | ToxR bacterial transcriptional regulator bound to 40 bp toxT promoter DNA | | Descriptor: | Cholera toxin transcriptional activator, DNA (40-MER) | | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | | Deposit date: | 2022-09-20 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4B
 | | ToxR bacterial transcriptional regulator bound to 19 bp ompU promoter DNA | | Descriptor: | AMMONIUM ION, CADMIUM ION, Cholera toxin transcriptional activator, ... | | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | | Deposit date: | 2022-09-20 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4E
 | | ToxR bacterial transcriptional regulator bound to 25 bp toxT promoter DNA | | Descriptor: | Cholera toxin transcriptional activator, DNA (25-MER) | | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | | Deposit date: | 2022-09-20 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4C
 | | ToxR bacterial transcriptional regulator bound to 20 bp toxT promoter DNA | | Descriptor: | Cholera toxin transcriptional activator, DNA (20-MER) | | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | | Deposit date: | 2022-09-20 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZQW
 | | Structure of the SARS-CoV-1 main protease in complex with AG7404 | | Descriptor: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | Authors: | Muriel-Goni, S, Fabrega-Ferrer, M, Herrera-Morande, A, Coll, M. | | Deposit date: | 2022-05-03 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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7ZQV
 | | Structure of the SARS-CoV-2 main protease in complex with AG7404 | | Descriptor: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | Authors: | Fabrega-Ferrer, M, Herrera-Morande, A, Perez-Saavedra, J, Coll, M. | | Deposit date: | 2022-05-03 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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6RVR
 | | Atomic structure of the Epstein-Barr portal, structure I | | Descriptor: | Portal protein | | Authors: | Machon, C, Fabrega-Ferrer, M, Zhou, D, Cuervo, A, Carrascosa, J.L, Stuart, D.I, Coll, M. | | Deposit date: | 2019-05-31 | | Release date: | 2019-09-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Atomic structure of the Epstein-Barr virus portal.
Nat Commun, 10, 2019
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6RVS
 | | Atomic structure of the Epstein-Barr portal, structure II | | Descriptor: | Portal protein | | Authors: | Machon, C, Fabrega-Ferrer, M, Zhou, D, Cuervo, A, Carrascosa, J.L, Stuart, D.I, Coll, M. | | Deposit date: | 2019-05-31 | | Release date: | 2019-09-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Atomic structure of the Epstein-Barr virus portal.
Nat Commun, 10, 2019
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4Q3L
 | | Crystal structure of MGS-M2, an alpha/beta hydrolase enzyme from a Medee basin deep-sea metagenome library | | Descriptor: | GLYCEROL, MGS-M2 | | Authors: | Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2014-04-11 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
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