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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3OF0
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3OEZ
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![BU of 3oez by Molmil](/molmil-images/mine/3oez) | crystal structure of the L317I mutant of the chicken c-Src tyrosine kinase domain complexed with imatinib | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ACETATE ION, GLYCEROL, ... | Authors: | Boubeva, R, Pernot, L, Perozzo, R, Scapozza, L. | Deposit date: | 2010-08-13 | Release date: | 2011-08-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | a single amino-acid dictates the dynamics of the switch between active and inactive C-Src conformation To be Published
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3QLG
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3QLF
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4D0T
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![BU of 4d0t by Molmil](/molmil-images/mine/4d0t) | GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-04-30 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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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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4D0Z
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![BU of 4d0z by Molmil](/molmil-images/mine/4d0z) | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset) | Descriptor: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-04-30 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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4IGF
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![BU of 4igf by Molmil](/molmil-images/mine/4igf) | Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one | Descriptor: | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ... | Authors: | Kostrewa, D, Perozzo, R. | Deposit date: | 2012-12-17 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI) J.Med.Chem., 56, 2013
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4D11
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![BU of 4d11 by Molmil](/molmil-images/mine/4d11) | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset) | Descriptor: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-05-01 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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4IGE
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![BU of 4ige by Molmil](/molmil-images/mine/4ige) | Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one | Descriptor: | 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ... | Authors: | Kostrewa, D, Perozzo, R. | Deposit date: | 2012-12-17 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI) J.Med.Chem., 56, 2013
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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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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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3F0T
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![BU of 3f0t by Molmil](/molmil-images/mine/3f0t) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with N-methyl-DHBT | Descriptor: | N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L. | Deposit date: | 2008-10-26 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo. Nucleosides Nucleotides Nucleic Acids, 30, 2011
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1L7B
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![BU of 1l7b by Molmil](/molmil-images/mine/1l7b) | Solution NMR Structure of BRCT Domain of T. Thermophilus: Northeast Structural Genomics Consortium Target WR64TT | Descriptor: | DNA LIGASE | Authors: | Sahota, G, Dixon, B.L, Huang, Y.P, Aramini, J, Monleon, D, Bhattacharya, D, Swapna, G.V.T, Yin, C, Xiao, R, Anderson, S, Tejero, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-03-14 | Release date: | 2003-09-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of the Brct Domain from Thermus Thermophilus DNA Ligase To be Published
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3E61
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![BU of 3e61 by Molmil](/molmil-images/mine/3e61) | Crystal structure of a putative transcriptional repressor of ribose operon from Staphylococcus saprophyticus subsp. saprophyticus | Descriptor: | GLYCEROL, Putative transcriptional repressor of ribose operon | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-08-14 | Release date: | 2008-08-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a putative transcriptional repressor of ribose operon from Staphylococcus saprophyticus subsp. saprophyticus To be Published
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2SPZ
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![BU of 2spz by Molmil](/molmil-images/mine/2spz) | STAPHYLOCOCCAL PROTEIN A, Z-DOMAIN, NMR, 10 STRUCTURES | Descriptor: | IMMUNOGLOBULIN G BINDING PROTEIN A | Authors: | Montelione, G.T, Tashiro, M, Tejero, R, Lyons, B.A. | Deposit date: | 1998-07-29 | Release date: | 1998-08-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High-resolution solution NMR structure of the Z domain of staphylococcal protein A. J.Mol.Biol., 272, 1997
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3EEQ
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![BU of 3eeq by Molmil](/molmil-images/mine/3eeq) | Crystal structure of a putative cobalamin biosynthesis protein G homolog from Sulfolobus solfataricus | Descriptor: | SULFATE ION, putative Cobalamin biosynthesis protein G homolog | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Chang, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-09-05 | Release date: | 2008-09-30 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a putative cobalamin biosynthesis protein G homolog from Sulfolobus solfataricus To be Published
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3E9N
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![BU of 3e9n by Molmil](/molmil-images/mine/3e9n) | Crystal structure of a putative short-chain dehydrogenase/reductase from Corynebacterium glutamicum | Descriptor: | PUTATIVE SHORT-CHAIN DEHYDROGENASE/REDUCTASE | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Hu, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-08-22 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a putative short-chain dehydrogenase/reductase from Corynebacterium glutamicum To be Published
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2WZF
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![BU of 2wzf by Molmil](/molmil-images/mine/2wzf) | Legionella pneumophila glucosyltransferase crystal structure | Descriptor: | GLUCOSYLTRANSFERASE, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Hurtado-Guerrero, R, Zusman, T, Pathak, S, Ibrahim, A.F.M, Shepherd, S, Prescott, A, Segal, G, van Aalten, D.M.F. | Deposit date: | 2009-11-29 | Release date: | 2009-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase. Biochem.J., 426, 2010
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3EDM
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![BU of 3edm by Molmil](/molmil-images/mine/3edm) | Crystal structure of a short chain dehydrogenase from Agrobacterium tumefaciens | Descriptor: | Short chain dehydrogenase | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Chang, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-09-03 | Release date: | 2008-09-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a short chain dehydrogenase from Agrobacterium tumefaciens To be Published
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3EGC
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![BU of 3egc by Molmil](/molmil-images/mine/3egc) | Crystal structure of a putative ribose operon repressor from Burkholderia thailandensis | Descriptor: | putative ribose operon repressor | Authors: | Bonanno, J.B, Patskovsky, Y, Gilmore, M, Bain, K.T, Hu, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-09-10 | Release date: | 2008-09-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of a putative ribose operon repressor from Burkholderia thailandensis To be Published
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2UY5
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![BU of 2uy5 by Molmil](/molmil-images/mine/2uy5) | ScCTS1_kinetin crystal structure | Descriptor: | ENDOCHITINASE, N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE | Authors: | Hurtado-Guerrero, R, van Aalten, D.M.F. | Deposit date: | 2007-04-02 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors. Chem.Biol., 14, 2007
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3EQZ
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![BU of 3eqz by Molmil](/molmil-images/mine/3eqz) | Crystal structure of a response regulator from Colwellia psychrerythraea | Descriptor: | Response regulator | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Iizuka, M, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-10-01 | Release date: | 2008-10-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of a response regulator from Colwellia psychrerythraea To be Published
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