3DC8
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4UHU
| W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A | Descriptor: | ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-03-25 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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3N5F
| Crystal Structure of L-N-carbamoylase from Geobacillus stearothermophilus CECT43 | Descriptor: | CACODYLATE ION, COBALT (II) ION, ISOPROPYL ALCOHOL, ... | Authors: | Garcia-Pino, A, Martinez-Rodriguez, S, Gavira, J.A. | Deposit date: | 2010-05-25 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mutational and structural analysis of L-N-carbamoylase reveals new insights into a peptidase m20/m25/m40 family member. J.Bacteriol., 194, 2012
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6YC5
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6YBI
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6YBO
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6YBX
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7APN
| Structure of Lipase TL from bulk agarose grown crystal | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lipase, ... | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | Deposit date: | 2020-10-19 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Production of Cross-Linked Lipase Crystals at a Preparative Scale. Cryst.Growth Des., 21, 2021
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7APP
| Structure of Lipase TL from capillary grown crystal in the presence of agarose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, Lipase, ... | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | Deposit date: | 2020-10-19 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Production of Cross-Linked Lipase Crystals at a Preparative Scale. Cryst.Growth Des., 21, 2021
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8QME
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6YBR
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6YBF
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3EAK
| NbBCII10 humanized (FGLA mutant) | Descriptor: | NbBCII10-FGLA, SULFATE ION | Authors: | Vincke, C, Loris, R, Saerens, D, Martinez-Rodriguez, S, Muyldermans, S, Conrath, K. | Deposit date: | 2008-08-26 | Release date: | 2008-12-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | General strategy to humanize a camelid single-domain antibody and identification of a universal humanized nanobody scaffold. J.Biol.Chem., 2008
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3EBA
| CAbHul6 FGLW mutant (humanized) in complex with human lysozyme | Descriptor: | CAbHul6, Lysozyme C, SULFATE ION | Authors: | Loris, R, Vincke, C, Saerens, D, Martinez-Rodriguez, S, Muyldermans, S, Conrath, K. | Deposit date: | 2008-08-27 | Release date: | 2008-12-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | General Strategy to Humanize a Camelid Single-domain Antibody and Identification of a Universal Humanized Nanobody Scaffold J.Biol.Chem., 284, 2009
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3DIE
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4HX3
| Crystal structure of Streptomyces caespitosus sermetstatin in complex with S. caespitosus snapalysin | Descriptor: | Extracellular small neutral protease, GLYCEROL, Neutral proteinase inhibitor ScNPI, ... | Authors: | Trillo-Muyo, S, Martinez-Rodriguez, S, Arolas, J.L, Gomis-Ruth, F.X. | Deposit date: | 2012-11-09 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism of action of a Janus-faced single-domain protein inhibitor simultaneously targeting two peptidase classes CHEM SCI, 4, 2013
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4HX2
| Crystal structure of Streptomyces caespitosus sermetstatin in complex with Bacillus licheniformis subtilisin | Descriptor: | (2R,2'R)-3,3'-oxydipropane-1,2-diol, ACETATE ION, CACODYLATE ION, ... | Authors: | Trillo-Muyo, S, Martinez-Rodriguez, S, Arolas, J.L, Gomis-Ruth, F.X. | Deposit date: | 2012-11-09 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanism of action of a Janus-faced single-domain protein inhibitor simultaneously targeting two peptidase classes CHEM SCI, 4, 2013
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4HWX
| Crystal structure of Streptomyces caespitosus sermetstatin | Descriptor: | ACETATE ION, GLYCEROL, Neutral proteinase inhibitor ScNPI | Authors: | Trillo-Muyo, S, Martinez-Rodriguez, S, Arolas, J.L, Gomis-Ruth, F.X. | Deposit date: | 2012-11-09 | Release date: | 2012-12-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of action of a Janus-faced single-domain protein inhibitor simultaneously targeting two peptidase classes CHEM SCI, 4, 2013
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4LE9
| Crystal structure of a chimeric c-Src-SH3 domain | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL | Authors: | Camara-Artigas, A, Martinez-Rodriguez, S, Ortiz-Salmeron, E, Martin-Garcia, J.M. | Deposit date: | 2013-06-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.344 Å) | Cite: | 3D domain swapping in a chimeric c-Src SH3 domain takes place through two hinge loops. J.Struct.Biol., 186, 2014
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6YRS
| Structure of a new variant of GNCA ancestral beta-lactamase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Risso, V, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M, Modi, T, Ozkan, S.B. | Deposit date: | 2020-04-20 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity. Nat Commun, 12, 2021
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7PTH
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5FQM
| Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase | Descriptor: | GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION | Authors: | Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M. | Deposit date: | 2015-12-12 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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6DTC
| Dihydrofolate Reductase (DHFR) of Aspergillus flavus in complex with a small molecule inhibitor | Descriptor: | (3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Bensen, D.C, Fortier, J.M, Akers-Rodriguez, S, Tari, L.W. | Deposit date: | 2018-06-15 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prospecting for broad-spectrum inhibitors of fungal dihydrofolate reductase using a structure guided approach. To be published
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7PTJ
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6G5Z
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