7UZL
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7UBC
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7UBE
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7UBG
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7UBH
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4X3E
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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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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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6YI9
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![BU of 6yi9 by Molmil](/molmil-images/mine/6yi9) | Crystal structure of the rat cytosolic PCK1, acetylated on Lys244 | Descriptor: | 1,2-ETHANEDIOL, Phosphoenolpyruvate carboxykinase, cytosolic [GTP] | Authors: | Latorre-Muro, P, Baeza, J, Hurtado-Guerrero, R, Hicks, T, Delso, I, Hernandez-Ruiz, C, Velazquez-Campoy, A, Lawton, A.J, Angulo, J, Denu, J.M, Carrodeguas, J.A. | Deposit date: | 2020-04-01 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Self-acetylation at the active site of phosphoenolpyruvate carboxykinase (PCK1) controls enzyme activity. J.Biol.Chem., 296, 2021
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7A04
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![BU of 7a04 by Molmil](/molmil-images/mine/7a04) | Structure of human CKa1 in complex with compound b | Descriptor: | 1,2-ETHANEDIOL, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, Choline kinase alpha | Authors: | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | Deposit date: | 2020-08-06 | Release date: | 2020-09-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207, 2020
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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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8AY1
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![BU of 8ay1 by Molmil](/molmil-images/mine/8ay1) | Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Spondin-1, ... | Authors: | Hurtado-Guerrero, R, Merino, P. | Deposit date: | 2022-09-01 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2. Angew.Chem.Int.Ed.Engl., 61, 2022
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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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4OQL
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![BU of 4oql by Molmil](/molmil-images/mine/4oql) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU | Descriptor: | 2'-deoxy-5-ethynyl-2',2'-difluorouridine, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L. | Deposit date: | 2014-02-10 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU To be Published
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6GW7
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![BU of 6gw7 by Molmil](/molmil-images/mine/6gw7) | The CTD of HpDprA, a DNA binding Winged Helix domain which do not bind dsDNA | Descriptor: | DNA protecting protein DprA | Authors: | Lisboa, J, Celma, L, Sanchez, D, Marquis, M, Andreani, J, Guerois, R, Ochsenbein, F, Durand, D, Marsin, S, Cuniasse, P, Radicella, J.P, Quevillon-Cheruel, S. | Deposit date: | 2018-06-22 | Release date: | 2019-04-24 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The C-terminal domain of HpDprA is a DNA-binding winged helix domain that does not bind double-stranded DNA. Febs J., 286, 2019
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4OQN
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![BU of 4oqn by Molmil](/molmil-images/mine/4oqn) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU | Descriptor: | 2'-deoxy-5-ethynyluridine, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N.W, Scapozza, L. | Deposit date: | 2014-02-10 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU To be Published
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4MVF
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![BU of 4mvf by Molmil](/molmil-images/mine/4mvf) | Crystal Structure of Plasmodium falciparum CDPK2 complexed with inhibitor staurosporine | Descriptor: | CALCIUM ION, Calcium-dependent protein kinase 2, GLYCEROL, ... | Authors: | Lauciello, L, Pernot, L, Scapozza, L, Perozzo, R. | Deposit date: | 2013-09-24 | Release date: | 2014-09-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | P. falciparum Calcium-Dependent Protein Kinase 2 (PfCDPK2): First Crystal Structure and Virtual Ligand Screening To be Published
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4OQM
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![BU of 4oqm by Molmil](/molmil-images/mine/4oqm) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU | Descriptor: | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L. | Deposit date: | 2014-02-10 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU To be Published
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4NFU
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![BU of 4nfu by Molmil](/molmil-images/mine/4nfu) | Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ... | Authors: | Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E. | Deposit date: | 2013-11-01 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity. Cell Host Microbe, 14, 2013
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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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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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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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3HQC
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![BU of 3hqc by Molmil](/molmil-images/mine/3hqc) | Crystal structure of Phosphotyrosine-binding domain from the Human Tensin-like C1 domain-containing phosphatase (TENC1) | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Sampathkumar, P, Romero, R, Wasserman, S, Do, J, Dickey, M, Bain, K, Gheyi, T, Klemke, R, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-06-05 | Release date: | 2009-07-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Phosphotyrosine-binding domain from the Human Tensin-like C1 domain-containing phosphatase (TENC1) To be Published
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8PN5
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