5IRP
 
 | | Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis | | Descriptor: | (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alanine racemase 2, ... | | Authors: | Bernardo-Garcia, N, Gago, F, Hermoso, J.A. | | Deposit date: | 2016-03-14 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
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6DIZ
 | | EV-A71 strain 11316 complexed with tryptophan dendrimer MADAL_0385 | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Sun, L, Lee, H, Thibaut, H.J, Rivero-Buceta, E, Martinez-Gualda, B, Delang, L, Leyssen, P, Gago, F, San-Felix, A, Hafenstein, S, Mirabelli, C, Neyts, J. | | Deposit date: | 2018-05-24 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid.
Plos Pathog., 15, 2019
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1J9N
 | | Solution Structure of the Nucleopeptide [AC-LYS-TRP-LYS-HSE(p3*dGCATCG)-ALA]-[p5*dCGTAGC] | | Descriptor: | 5'-D(*CP*GP*TP*AP*GP*C)-3', 5'-D(*GP*CP*TP*AP*CP*(PGN))-3', peptide ACE-LYS-TRP-LYS-HSE-ALA | | Authors: | Gomez-Pinto, I, Marchan, V, Gago, F, Grandas, A, Gonzalez, C. | | Deposit date: | 2001-05-28 | | Release date: | 2003-01-21 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure and stability of tryptophan-containing nucleopeptide duplexes
Chembiochem, 4, 2003
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6Q70
 | | Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis in the presence of HEPES | | Descriptor: | Alanine racemase 2, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Bernardo-Garcia, N, Gago, F, Hermoso, J.A. | | Deposit date: | 2018-12-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
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6Q71
 | | Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis in the presence of Bis-Tris propane | | Descriptor: | Alanine racemase 2, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Bernardo-Garcia, N, Gago, F, Hermoso, J.A. | | Deposit date: | 2018-12-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
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8BDG
 | | Tubulin-taxane-2b complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | | Deposit date: | 2022-10-19 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
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8BDF
 | | Tubulin-taxane-2a complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | | Deposit date: | 2022-10-19 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
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8BDE
 | | Tubulin-baccatin III complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | | Deposit date: | 2022-10-19 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
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4UEO
 | | Open state of galactitol-1-phosphate 5-dehydrogenase from E. coli, with zinc in the catalytic site. | | Descriptor: | GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, ZINC ION | | Authors: | Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. | | Deposit date: | 2014-12-18 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli
Acta Crystallogr.,Sect.D, 71, 2015
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4UEK
 | | Galactitol-1-phosphate 5-dehydrogenase from E. coli with Tris within the active site. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, ZINC ION | | Authors: | Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. | | Deposit date: | 2014-12-18 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli
Acta Crystallogr.,Sect.D, 71, 2015
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4UEJ
 | | Closed state of galactitol-1-phosphate 5-dehydrogenase from E. coli in complex with glycerol. | | Descriptor: | GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, GLYCEROL, ZINC ION | | Authors: | Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. | | Deposit date: | 2014-12-18 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli
Acta Crystallogr.,Sect.D, 71, 2015
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6Q72
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4C87
 | | Esterase LpEst1 from Lactobacillus plantarum WCFS1 | | Descriptor: | ESTERASE, GLYCEROL | | Authors: | Alvarez, Y, Esteban-Torres, M, Cortes-Cabrera, A, Gago, F, Acebron, I, Benavente, R, Mardo, K, de-las-Rivas, B, Munoz, R, Mancheno, J.M. | | Deposit date: | 2013-09-30 | | Release date: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Esterase Lpest1 from Lactobacillus Plantarum: A Novel and Atypical Member of the Alpha Beta Hydrolase Superfamily of Enzymes
Plos One, 9, 2014
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4C88
 | | Esterase LpEst1 from Lactobacillus plantarum: native structure | | Descriptor: | ESTERASE | | Authors: | Alvarez, Y, Esteban-Torres, M, Cortes-Cabrera, A, Gago, F, Acebron, I, Benavente, R, Mardo, K, de-las-Rivas, B, Munoz, R, Mancheno, J.M. | | Deposit date: | 2013-09-30 | | Release date: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Esterase Lpest1 from Lactobacillus Plantarum: A Novel and Atypical Member of the Alpha Beta Hydrolase Superfamily of Enzymes
Plos One, 9, 2014
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4C89
 | | Crystal structure of carboxylesterase LpEst1 from Lactobacillus plantarum: high resolution model | | Descriptor: | ESTERASE, GLYCEROL, MALONATE ION | | Authors: | Alvarez, Y, Esteban-Torres, M, Cortes-Cabrera, A, Gago, F, Acebron, I, Benavente, R, Mardo, K, de-las-Rivas, B, Munoz, R, Mancheno, J.M. | | Deposit date: | 2013-09-30 | | Release date: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Esterase Lpest1 from Lactobacillus Plantarum: A Novel and Atypical Member of the Alpha Beta Hydrolase Superfamily of Enzymes
Plos One, 9, 2014
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5MF4
 | | Tubulin-Dictyostatin complex | | Descriptor: | (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Trigili, C, Barasoain, I, Sanchez-Murcia, P.A, Bargsten, K, Redondo-Horcajo, M, Nogales, A, Gardner, N.M, Meyer, A, Naylor, G.J, Gomez-Rubio, E, Gago, F, Steinmetz, M.O, Paterson, I, Prota, A.E, Diaz, J.F. | | Deposit date: | 2016-11-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.
ACS Omega, 1, 2016
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6RA9
 | | Novel structural features and post-translational modifications in eukaryotic elongation factor 1A2 from Oryctolagus cuniculus | | Descriptor: | Elongation factor 1-alpha 2, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Carriles, A.A, Hermoso, J, Gago, F. | | Deposit date: | 2019-04-05 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Cues for Understanding eEF1A2 Moonlighting.
Chembiochem, 22, 2021
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8QZG
 | | 1,3 L,D-transpeptidase from Gluconobacter oxydans | | Descriptor: | CHLORIDE ION, SODIUM ION, YkuD domain-containing protein | | Authors: | ter Beek, J, Berntsson, R.P. | | Deposit date: | 2023-10-27 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A distinctive family of L,D-transpeptidases catalyzing L-Ala-mDAP crosslinks in Alpha- and Betaproteobacteria.
Nat Commun, 15, 2024
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7ZX2
 | | Tubulin-Pelophen B complex | | Descriptor: | (3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Estevez-Gallego, J, Diaz, J.F, Van der Eycken, J, Oliva, M.A. | | Deposit date: | 2022-05-20 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
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5AAR
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8A0L
 | | Tubulin-CW1-complex | | Descriptor: | (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E, Diaz, J.F, Steinmetz, M.O, Oliva, M.A. | | Deposit date: | 2022-05-28 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9981 Å) | | Cite: | Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
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6UH7
 | | EV-A71 strain 11316 complexed with MADAL compound 30 | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Lee, H, Hafenstein, S. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
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6UH6
 | | EV-A71 strain 11316 complexed with MADAL compound 22 | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Lee, H, Hafenstein, S. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
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6UH1
 | | Structure of the EVA71 strain 11316 capsid | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Lee, H, Hafenstein, S. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
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8PW4
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