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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6I7N
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8ALO
| Heterodimer formation of sensory domains of Vibrio cholerae regulators ToxR and ToxS | Descriptor: | Cholera toxin transcriptional activator, Transmembrane regulatory protein ToxS | Authors: | Gubensaek, N, Sagmeister, T, Pavkov-Keller, T, Zangger, K, Buhlheller, C, Wagner, G.E. | Deposit date: | 2022-08-01 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | Vibrio cholerae's ToxRS bile sensing system. Elife, 12, 2023
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8BVK
| The crystal structure of O-glycoside cleaving beta-eliminase from A. tumefaciens AtOGE | Descriptor: | MANGANESE (II) ION, Xylose isomerase | Authors: | Kuhlmann, K, Bitter, J, Pfeiffer, M, Nidetzky, B, Pavkov-Keller, T. | Deposit date: | 2022-12-04 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzymatic beta-elimination in natural product O- and C-glycoside deglycosylation. Nat Commun, 14, 2023
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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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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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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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6T98
| Trypanothione Reductase from Leishmania infantum in complex with 9a | Descriptor: | 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Carriles, A.A, Hermoso, J.A. | Deposit date: | 2019-10-26 | Release date: | 2020-11-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity. Eur.J.Med.Chem., 244, 2022
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6T95
| Trypanothione Reductase from Leismania infantum in complex with 4a | Descriptor: | 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Carriles, A.A, Hermoso, J.A. | Deposit date: | 2019-10-25 | Release date: | 2020-11-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity. Eur.J.Med.Chem., 244, 2022
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6T97
| Trypanothione Reductase from Leismania infantum in complex with TRL190 | Descriptor: | 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Carriles, A, Hermoso, J.A. | Deposit date: | 2019-10-26 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Scaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity To Be Published
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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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6QAI
| 2-desoxiribosyltransferase from Leishmania mexicana | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-Deoxyribosyltransferase | Authors: | Crespo, N, Mancheno, J.M. | Deposit date: | 2018-12-19 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | 2'-Deoxyribosyltransferase from Leishmania mexicana, an efficient biocatalyst for one-pot, one-step synthesis of nucleosides from poorly soluble purine bases. Appl.Microbiol.Biotechnol., 101, 2017
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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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6Q72
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4CNL
| Crystal structure of the Choline-binding domain of CbpL from Streptococcus pneumoniae | Descriptor: | CHOLINE ION, GLYCEROL, PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN, ... | Authors: | Gutierrez-Fernandez, J, Bartual, S.G, Hermoso, J.A. | Deposit date: | 2014-01-23 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Modular Architecture and Unique Teichoic Acid Recognition Features of Choline-Binding Protein L (Cbpl) Contributing to Pneumococcal Pathogenesis. Sci.Rep., 6, 2016
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