1VYQ
| Novel inhibitors of Plasmodium Falciparum dUTPase provide a platform for anti-malarial drug design | Descriptor: | 2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | Authors: | Whittingham, J.L, Leal, I, Kasinathan, G, Nguyen, C, Bell, E, Jones, A.F, Berry, C, Benito, A, Turkenburg, J.P, Dodson, E.J, Ruiz Perez, L.M, Wilkinson, A.J, Johansson, N.G, Brun, R, Gilbert, I.H, Gonzalez Pacanowska, D, Wilson, K.S. | Deposit date: | 2004-05-05 | Release date: | 2005-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dutpase as a Platform for Antimalarial Drug Design: Structural Basis for the Selectivity of a Class of Nucleoside Inhibitors. Structure, 13, 2005
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2J63
| Crystal structure of AP endonuclease LMAP from Leishmania major | Descriptor: | AP-ENDONUCLEASE | Authors: | Vidal, A.E, Harkiolaki, M, Gallego, C, Castillo-Acosta, V.M, Ruiz-Perez, L.M, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2006-09-25 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structure and DNA Repair Activities of the Ap Endonuclease from Leishmania Major. J.Mol.Biol., 373, 2007
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2WWG
| Plasmodium falciparum thymidylate kinase in complex with dGMP and ADP | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2009-10-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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2WWF
| Plasmodium falciparum thymidylate kinase in complex with TMP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, SODIUM ION, ... | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2009-10-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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2WWI
| Plasmodium falciparum thymidylate kinase in complex with AZTMP and ADP | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, THYMIDILATE KINASE, ... | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2009-10-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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2WWH
| Plasmodium falciparum thymidylate kinase in complex with AP5dT | Descriptor: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SODIUM ION, THYMIDILATE KINASE, ... | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2009-10-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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2YOH
| Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor | Descriptor: | 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea, THYMIDYLATE KINASE | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | Deposit date: | 2012-10-24 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
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2YOF
| Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea, ACETATE ION, THYMIDYLATE KINASE, ... | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | Deposit date: | 2012-10-24 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
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2YOG
| Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | Deposit date: | 2012-10-24 | Release date: | 2013-07-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
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7NYO
| Mutant A541L of SH3 domain of JNK-interacting Protein 1 (JIP1) | Descriptor: | 1,2-ETHANEDIOL, SH3 domain of JNK-interacting Protein 1 (JIP1), SULFATE ION, ... | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | Deposit date: | 2021-03-23 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping. Nature, 602, 2022
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7NYK
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7NYM
| Mutant V517A - SH3 domain of JNK-interacting Protein 1 (JIP1) | Descriptor: | HEXAETHYLENE GLYCOL, PHOSPHATE ION, SH3 domain of JNK-interacting Protein 1 (JIP1), ... | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | Deposit date: | 2021-03-23 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.614 Å) | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping. Nature, 602, 2022
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7NZB
| Mutant V517L of the SH3 domain of JNK-interacting protein 1 (JIP1) | Descriptor: | PHOSPHATE ION, SH3 domain of JNK-interacting protein 1 (JIP1), TETRAETHYLENE GLYCOL | Authors: | Perez, L.M, Ielasi, F.S, Jensen, M.R, Palencia, A. | Deposit date: | 2021-03-23 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.959 Å) | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping. Nature, 602, 2022
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7NYN
| Mutant Y526A of SH3 domain of JNK-interacting Protein 1 (JIP1) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | Deposit date: | 2021-03-23 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.537 Å) | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping. Nature, 602, 2022
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7NYL
| Mutant H493A of SH3 domain of JNK-interacting Protein 1 (JIP1) | Descriptor: | SH3 domain of JNK-interacting Protein 1 (JIP1), TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | Deposit date: | 2021-03-23 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping. Nature, 602, 2022
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7PKU
| Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a | Descriptor: | 3C-like proteinase, Nucleoprotein | Authors: | Bessa, L.M, Guseva, S, Camacho-Zarco, A.R, Salvi, N, Blackledge, M. | Deposit date: | 2021-08-26 | Release date: | 2022-01-19 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The intrinsically disordered SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a. Sci Adv, 8, 2022
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5FUV
| catalytic domain of Thymidine kinase from Trypanosoma brucei with dThd | Descriptor: | GLYCEROL, PHOSPHATE ION, THYMDINE KINASE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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5FUX
| catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, THYMDINE KINASE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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5FUY
| catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP | Descriptor: | PHOSPHATE ION, THYMDINE KINASE, ZINC ION, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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5FUW
| catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP or dThd | Descriptor: | PHOSPHATE ION, THYMDINE KINASE, THYMIDINE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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6OYY
| Crystal structure of Mtb aspartate decarboxylase, pyrazinoic acid complex | Descriptor: | Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, PYRAZINE-2-CARBOXYLIC ACID | Authors: | Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-05-15 | Release date: | 2020-02-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nat Commun, 11, 2020
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6P02
| Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex | Descriptor: | 6-chloropyrazine-2-carboxylic acid, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain | Authors: | Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-05-16 | Release date: | 2020-02-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nat Commun, 11, 2020
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6OZ8
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6P1Y
| Crystal structure of Mtb aspartate decarboxylase mutant M117I | Descriptor: | AMMONIUM ION, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, ... | Authors: | Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-05-20 | Release date: | 2020-02-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nat Commun, 11, 2020
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