5A2I
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![BU of 5a2i by Molmil](/molmil-images/mine/5a2i) | Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5A2J
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![BU of 5a2j by Molmil](/molmil-images/mine/5a2j) | Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | Descriptor: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5FUT
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![BU of 5fut by Molmil](/molmil-images/mine/5fut) | Human choline kinase a1 in complex with compound 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin- 1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (compound BR25) | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, CHOLINE KINASE ALPHA | Authors: | Serran-Aguilera, L, Denton, H, Rubio-Ruiz, B, Lopez-Gutierrez, B, Entrena, A, Izquierdo, L, Smith, T.K, Conejo-Garcia, A, Hurtado-Guerrero, R. | Deposit date: | 2016-01-29 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Plasmodium Falciparum Choline Kinase Inhibition Leads to a Major Decrease in Phosphatidylethanolamine Causing Parasite Death. Sci.Rep., 6, 2016
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6F0F
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![BU of 6f0f by Molmil](/molmil-images/mine/6f0f) | Crystal structure ASF1-ip2_s | Descriptor: | Histone chaperone ASF1A, ip2_s | Authors: | Gaubert, A, Guichard, B, Murciano, B, Le Du, M.H, Ochsenbein, F, Guerois, R, Andreani, J. | Deposit date: | 2017-11-20 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design on a Rational Basis of High-Affinity Peptides Inhibiting the Histone Chaperone ASF1. Cell Chem Biol, 26, 2019
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4ANP
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![BU of 4anp by Molmil](/molmil-images/mine/4anp) | Crystal structure of human phenylalanine hydroxylase in complex with a pharmacological chaperone | Descriptor: | 5,6-DIMETHYL-3-(4-METHYL-2-PYRIDINYL)-2-THIOXO-2,3-DIHYDROTHIENO[2,3- D]PYRIMIDIN-4(1H)-ONE, FE (III) ION, PHENYLALANINE-4-HYDROXYLASE | Authors: | Torreblanca, R, Lira-Navarrete, E, Sancho, J, Hurtado-Guerrero, R. | Deposit date: | 2012-03-21 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural and Mechanistic Basis of the Interaction between a Pharmacological Chaperone and Human Phenylalanine Hydroxylase. Chembiochem, 13, 2012
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4B4D
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![BU of 4b4d by Molmil](/molmil-images/mine/4b4d) | Crystal structure of FAD-containing ferredoxin-NADP reductase from Xanthomonas axonopodis pv. citri | Descriptor: | CHLORIDE ION, FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Martinez-Julvez, M, Orellano, E.G, Tondo, M.L, Hurtado-Guerrero, R, Medina, M, Ceccarelli, E.A, Sanchez-Azqueta, A. | Deposit date: | 2012-07-30 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Fad-Containing Ferredoxin- Nadp Reductase from Xanthomonas Axonopodis Pv. Citri Biomed Res Int, 2013, 2013
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3ZC3
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![BU of 3zc3 by Molmil](/molmil-images/mine/3zc3) | FERREDOXIN-NADP REDUCTASE (MUTATION S80A) COMPLEXED WITH NADP BY COCRYSTALLIZATION | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martinez-Julvez, M, Hurtado-Guerrero, R, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M. | Deposit date: | 2012-11-15 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency. Biochim.Biophys.Acta, 1837, 2013
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8PMU
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![BU of 8pmu by Molmil](/molmil-images/mine/8pmu) | |
4D69
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![BU of 4d69 by Molmil](/molmil-images/mine/4d69) | SOYBEAN AGGLUTININ FROM GLYCINE MAX IN COMPLEX WITH THE ANTIGEN Tn | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LECTIN, ... | Authors: | Madariaga, D, Martinez-Saez, N, Somovilla, V.J, Coelho, H, Valero-Gonzalez, J, Castro-Lopez, J, Asensio, J.L, Jimenez-Barbero, J, Busto, J.H, Avenoza, A, Marcelo, F, Hurtado-Guerrero, R, Corzana, F, Peregrina, J.M. | Deposit date: | 2014-11-10 | Release date: | 2014-11-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Detection of Tumor-Associated Glycopeptides by Lectins: The Peptide Context Modulates Carbohydrate Recognition. Acs Chem.Biol., 10, 2015
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8PN3
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7YYK
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![BU of 7yyk by Molmil](/molmil-images/mine/7yyk) | Crystal structure of the O-fucosylated form of TSRs1-3 from the human thrombospondin 1 | Descriptor: | 1,2-ETHANEDIOL, Thrombospondin-1, alpha-L-fucopyranose | Authors: | Berardinelli, S.J, Eletsky, A, Valero-Gonzalez, J, Ito, A, Manjunath, R, Hurtado-Guerrero, R, Prestegard, J.R, Woods, R.J, Haltiwanger, R.S. | Deposit date: | 2022-02-18 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | O-fucosylation stabilizes the TSR3 motif in thrombospondin-1 by interacting with nearby amino acids and protecting a disulfide bond. J.Biol.Chem., 298, 2022
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2JRR
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![BU of 2jrr by Molmil](/molmil-images/mine/2jrr) | Solution NMR Structure of Q5LLS5 from Silicibacter pomeroyi. Northeast Structural Genomics Consortium target SiR90 | Descriptor: | Uncharacterized protein | Authors: | Swapna, G.V.T, Tejero, R, Jiang, M, Cunningham, K, Maglaqui, M, Owens, L, Liu, J, Wang, H, Acton, T.B, Xiao, R, Baran, M.C, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-06-28 | Release date: | 2007-07-17 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Q5LLS5 from Silicibacter pomeroyi. To be Published
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6ZUF
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![BU of 6zuf by Molmil](/molmil-images/mine/6zuf) | Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone | Descriptor: | C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ... | Authors: | Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F. | Deposit date: | 2020-07-22 | Release date: | 2021-06-09 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity. Sci Adv, 7, 2021
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4R3R
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![BU of 4r3r by Molmil](/molmil-images/mine/4r3r) | Crystal structures of EGFR in complex with Mig6 | Descriptor: | Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1' | Authors: | Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J. | Deposit date: | 2014-08-17 | Release date: | 2015-08-12 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6. Nat.Struct.Mol.Biol., 22, 2015
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4R3P
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![BU of 4r3p by Molmil](/molmil-images/mine/4r3p) | Crystal structures of EGFR in complex with Mig6 | Descriptor: | Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1 | Authors: | Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J. | Deposit date: | 2014-08-17 | Release date: | 2015-08-12 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.905 Å) | Cite: | Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6. Nat.Struct.Mol.Biol., 22, 2015
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6YIG
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![BU of 6yig by Molmil](/molmil-images/mine/6yig) | Crystal structure of the N-terminal EF-hand domain of Arabidopsis thaliana AtEH1/Pan1 | Descriptor: | CALCIUM ION, Calcium-binding EF hand family protein, SODIUM ION | Authors: | Yperman, K, Merceron, R, De Munck, S, Bloch, Y, Savvides, S.N, Pleskot, R, Van Damme, D. | Deposit date: | 2020-04-01 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding. Nat Commun, 12, 2021
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4CG9
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![BU of 4cg9 by Molmil](/molmil-images/mine/4cg9) | Human choline kinase a1 in complex with compound 12 | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | Deposit date: | 2013-11-21 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57, 2014
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4OM9
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![BU of 4om9 by Molmil](/molmil-images/mine/4om9) | X-Ray Crystal Structure of the passenger domain of Plasmid encoded toxin, an Autrotansporter Enterotoxin from enteroaggregative Escherichia coli (EAEC) | Descriptor: | Serine protease pet | Authors: | Meza-Aguilar, J.D, Fromme, P, Torres-Larios, A, Mendoza-Hernandez, G, Hernandez-Chinas, U, Arreguin-Espinosa de Los Monteros, R.A, Eslava-Campos, C.A, Fromme, R. | Deposit date: | 2014-01-27 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray crystal structure of the passenger domain of plasmid encoded toxin(Pet), an autotransporter enterotoxin from enteroaggregative Escherichia coli (EAEC). Biochem.Biophys.Res.Commun., 445, 2014
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4CG8
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![BU of 4cg8 by Molmil](/molmil-images/mine/4cg8) | Human choline kinase a1 in complex with compound 14 | Descriptor: | 1-benzyl-4-(dimethylamino)pyridinium, 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, CHOLINE KINASE ALPHA | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | Deposit date: | 2013-11-21 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57, 2014
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4CGA
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![BU of 4cga by Molmil](/molmil-images/mine/4cga) | Human choline kinase a1 in complex with compound 5 | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | Deposit date: | 2013-11-21 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57, 2014
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4BR3
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![BU of 4br3 by Molmil](/molmil-images/mine/4br3) | Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies | Descriptor: | 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium, 3-benzyladenine, CHOLINE KINASE ALPHA, ... | Authors: | Sahun-Roncero, M, Rubio-Ruiz, B, Conejo-Garcia, A, Velazquez-Campoy, A, Entrena, A, Hurtado-Guerrero, R. | Deposit date: | 2013-06-03 | Release date: | 2013-06-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Determination of Potential Scaffolds for Human Choline Kinase Alpha 1 by Chemical Deconvolution Studies Chembiochem, 14, 2013
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7A1D
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![BU of 7a1d by Molmil](/molmil-images/mine/7a1d) | Cryo-EM map of the large glutamate dehydrogenase composed of 180 kDa subunits from Mycobacterium smegmatis (open conformation) | Descriptor: | NAD-specific glutamate dehydrogenase | Authors: | Lazaro, M, Melero, R, Huet, C, Lopez-Alonso, J.P, Delgado, S, Dodu, A, Bruch, E.M, Abriata, L.A, Alzari, P.M, Valle, M, Lisa, M.N. | Deposit date: | 2020-08-12 | Release date: | 2021-06-09 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | 3D architecture and structural flexibility revealed in the subfamily of large glutamate dehydrogenases by a mycobacterial enzyme. Commun Biol, 4, 2021
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6F0G
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![BU of 6f0g by Molmil](/molmil-images/mine/6f0g) | Crystal structure ASF1-ip3 | Descriptor: | Histone chaperone ASF1A, SULFATE ION, ip3 | Authors: | Gaubert, A, Guichard, B, Richet, N, Le Du, M.H, Andreani, J, Guerois, R, Ochsenbein, F. | Deposit date: | 2017-11-20 | Release date: | 2019-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design on a Rational Basis of High-Affinity Peptides Inhibiting the Histone Chaperone ASF1. Cell Chem Biol, 26, 2019
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6F0H
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![BU of 6f0h by Molmil](/molmil-images/mine/6f0h) | Crystal structure ASF1-ip4 | Descriptor: | CITRIC ACID, GLYCEROL, Histone chaperone ASF1A, ... | Authors: | Bakail, M, Richet, N, Le Du, M.H, Andreani, J, Guerois, R, Ochsenbein, F. | Deposit date: | 2017-11-20 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Design on a Rational Basis of High-Affinity Peptides Inhibiting the Histone Chaperone ASF1. Cell Chem Biol, 26, 2019
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6TN3
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![BU of 6tn3 by Molmil](/molmil-images/mine/6tn3) | |