3QLF
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3OF0
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2J8A
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![BU of 2j8a by Molmil](/molmil-images/mine/2j8a) | X-ray structure of the N-terminus RRM domain of Set1 | Descriptor: | HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-4 SPECIFIC | Authors: | Tresaugues, L, Dehe, P.M, Guerois, R, Rodriguez-Gil, A, Varlet, I, Salah, P, Pamblanco, M, Luciano, P, Quevillon-Cheruel, S, Sollier, J, Leulliot, N, Couprie, J, Tordera, V, Zinn-Justin, S, Chavez, S, Van Tilbeurgh, H, Geli, V. | Deposit date: | 2006-10-24 | Release date: | 2007-03-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-Ray Structure of the N-Terminus Rrm Domain of Set1 To be Published
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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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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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3ZM9
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![BU of 3zm9 by Molmil](/molmil-images/mine/3zm9) | The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor | Descriptor: | 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium, CHOLINE KINASE ALPHA | Authors: | Sahun-Roncero, M, Rubio-Ruiz, B, Saladino, G, Conejo-Garcia, A, Espinosa, A, Velazquez-Campoy, A, Gervasio, F.L, Entrena, A, Hurtado-Guerrero, R. | Deposit date: | 2013-02-06 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Mechanism of Allosteric Coupling in Choline Kinase A1 Revealed by a Rationally Designed Inhibitor Angew.Chem.Int.Ed.Engl., 52, 2013
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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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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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7R4Q
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![BU of 7r4q by Molmil](/molmil-images/mine/7r4q) | The SARS-CoV-2 spike in complex with the 1.29 neutralizing nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.29, ... | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | Deposit date: | 2022-02-09 | Release date: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron. Front Immunol, 13, 2022
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7R4I
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![BU of 7r4i by Molmil](/molmil-images/mine/7r4i) | The SARS-CoV-2 spike in complex with the 2.15 neutralizing nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 2.15, ... | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | Deposit date: | 2022-02-08 | Release date: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron. Front Immunol, 13, 2022
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7R4R
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![BU of 7r4r by Molmil](/molmil-images/mine/7r4r) | The SARS-CoV-2 spike in complex with the 1.10 neutralizing nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.10, ... | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | Deposit date: | 2022-02-09 | Release date: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron. Front Immunol, 13, 2022
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3O74
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![BU of 3o74 by Molmil](/molmil-images/mine/3o74) | Crystal structure of Cra transcriptional dual regulator from Pseudomonas putida | Descriptor: | Fructose transport system repressor FruR, GLYCEROL | Authors: | Chavarria, M, Santiago, C, Platero, R, Krell, T, Casasnovas, J.M, de Lorenzo, V. | Deposit date: | 2010-07-30 | Release date: | 2011-01-12 | Last modified: | 2011-12-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fructose 1-phosphate is the preferred effector of the metabolic regulator Cra of Pseudomonas putida J.Biol.Chem., 286, 2011
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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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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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3OTX
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![BU of 3otx by Molmil](/molmil-images/mine/3otx) | Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Inhibitor AP5A | Descriptor: | Adenosine kinase, putative, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | Authors: | Kuettel, S, Greenwald, J, Kostrewa, D, Ahmed, S, Scapozza, L, Perozzo, R. | Deposit date: | 2010-09-14 | Release date: | 2011-06-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structures of T. b. rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation Plos Negl Trop Dis, 5, 2011
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3O75
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![BU of 3o75 by Molmil](/molmil-images/mine/3o75) | Crystal structure of Cra transcriptional dual regulator from Pseudomonas putida in complex with fructose 1-phosphate' | Descriptor: | 1-O-phosphono-beta-D-fructofuranose, Fructose transport system repressor FruR | Authors: | Chavarria, M, Santiago, C, Platero, R, Krell, T, Casasnovas, J.M, de Lorenzo, V. | Deposit date: | 2010-07-30 | Release date: | 2011-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fructose 1-phosphate is the preferred effector of the metabolic regulator Cra of Pseudomonas putida J.Biol.Chem., 286, 2011
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4IVQ
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![BU of 4ivq by Molmil](/molmil-images/mine/4ivq) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with IN43/5 | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4IVP
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![BU of 4ivp by Molmil](/molmil-images/mine/4ivp) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN51/20 | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4IVR
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![BU of 4ivr by Molmil](/molmil-images/mine/4ivr) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN52/10 | Descriptor: | 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4JBX
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![BU of 4jbx by Molmil](/molmil-images/mine/4jbx) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with SK-78 | Descriptor: | 1,2-ETHANEDIOL, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ... | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4BMA
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![BU of 4bma by Molmil](/molmil-images/mine/4bma) | structural of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase | Descriptor: | GLYCEROL, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE | Authors: | Fang, W, Raimi, O.G, HurtadoGuerrero, R, vanAalten, D.M.F. | Deposit date: | 2013-05-07 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Genetic and Structural Validation of Aspergillus Fumigatus Udp-N-Acetylglucosamine Pyrophosphorylase as an Antifungal Target. Mol.Microbiol., 89, 2013
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2IIJ
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![BU of 2iij by Molmil](/molmil-images/mine/2iij) | Structure of human Asf1a in complex with histone H3 | Descriptor: | ASF1A protein, Histone H3 | Authors: | Agez, M, Guerois, R, van Heijenoort, C, Mann, C, Ochsenbein, F. | Deposit date: | 2006-09-28 | Release date: | 2007-02-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the histone chaperone asf1 bound to the histone h3 C-terminal helix and functional insights. Structure, 15, 2007
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4JBY
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![BU of 4jby by Molmil](/molmil-images/mine/4jby) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78 | Descriptor: | 1,2-ETHANEDIOL, 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ... | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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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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