PDB: 121 件ウェブページステータス検索Chemie searchBIRD

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5H5B	Citrate ion bound crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 分子名称: CITRATE ANION, Thymidylate kinase 著者 Biswas, A, Jeyakanthan, J, Sekar, K. 登録日 2016-11-05 公開日 2017-06-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
3V9P	Crystal structure of Thymidylate kinase from Burkholderia thailandensis 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2011-12-27 公開日 2012-01-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Combining functional and structural genomics to sample the essential Burkholderia structome. Plos One, 8, 2013
5H56	ADP and dTDP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... 著者 Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S. 登録日 2016-11-04 公開日 2017-06-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
5NRQ	Mtb TMK crystal structure in complex with compound 33 分子名称: 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase 著者 Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. 登録日 2017-04-25 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mtb TMK crystal structure in complex with compound LS3112 To Be Published
5NQ5	Mtb TMK crystal structure in complex with compound 1 分子名称: 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione, Thymidylate kinase 著者 Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. 登録日 2017-04-19 公開日 2018-03-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors. J. Med. Chem., 61, 2018
5NR7	Mtb TMK crystal structure in complex with compound 43 分子名称: 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase 著者 Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. 登録日 2017-04-22 公開日 2018-03-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors. J. Med. Chem., 61, 2018
2YOH	Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor 分子名称: 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 著者 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. 登録日 2012-10-24 公開日 2013-07-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
3UXM	Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation 分子名称: 5'-deoxy-5'-fluorothymidine, MAGNESIUM ION, Thymidylate kinase 著者 Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. 登録日 2011-12-05 公開日 2012-02-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation. J.Med.Chem., 55, 2012
5NRN	Mtb TMK crystal structure in complex with compound 3 分子名称: 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase 著者 Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. 登録日 2017-04-25 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Mtb TMK crystal structure in complex with compound LS3080 To Be Published
2YOF	Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor 分子名称: 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, ... 著者 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. 登録日 2012-10-24 公開日 2013-07-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
5H70	Crystal structure of ADP bound dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S. 登録日 2016-11-15 公開日 2016-12-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of ADP bound dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7 To Be Published
2XX3	HUMAN THYMIDYLATE KINASE COMPLEXED WITH thymidine butenyl phosphonate monophosphate and ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N1-[(E)-4-DIHYDROXYPHOSPHONYL-BUT-2-ENYL]-THYMINE, ... 著者 Caillat, C, Meyer, P. 登録日 2010-11-08 公開日 2011-12-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel Antiviral C5-Substituted Pyrimidine Acyclic Nucleoside Phosphonates Selected as Human Thymidylate Kinase Substrates. J.Med.Chem., 54, 2011
2YOG	Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor 分子名称: 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 著者 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. 登録日 2012-10-24 公開日 2013-07-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
5H5K	ATP and CMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ... 著者 Biswas, A, Jeyakanthan, J, Sekar, K. 登録日 2016-11-06 公開日 2017-06-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
4DWJ	Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with Thymidine Monophosphate 分子名称: THYMIDINE-5'-PHOSPHATE, Thymidylate kinase 著者 Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) 登録日 2012-02-24 公開日 2012-03-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with Thymidine Monophosphate To be Published
4EDH	The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with ADP,TMP and Mg. 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Tan, K, Joachimiak, G, Jedrzejczak, R, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) 登録日 2012-03-27 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with ADP,TMP and Mg. To be Published
4EAQ	Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with 3'-Azido-3'-Deoxythymidine-5'-Monophosphate 分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, Thymidylate kinase 著者 Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) 登録日 2012-03-22 公開日 2012-04-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with 3'-Azido-3'-Deoxythymidine-5'-Monophosphate To be Published
4E5U	The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with thymidine monophosphate. 分子名称: CALCIUM ION, THYMIDINE-5'-PHOSPHATE, Thymidylate kinase 著者 Tan, K, Joachimiak, G, Jedrzejczak, R, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) 登録日 2012-03-14 公開日 2012-03-28 実験手法 X-RAY DIFFRACTION (1.812 Å) 主引用文献 The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with thymidine monophosphate. To be Published
4ESH	The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with deoxythymidine. 分子名称: THYMIDINE, Thymidylate kinase 著者 Tan, K, Joachimiak, G, Jedrzejczak, R, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) 登録日 2012-04-23 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with deoxythymidine. To be Published
1MRS	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH 5-CH2OH DEOXYURIDINE MONOPHOSPHATE 分子名称: 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... 著者 Haouz, A, Vanheusden, V, Munier-Lehmann, H, Froeyen, M, Herdewijn, P, Van Calenbergh, S, Delarue, M. 登録日 2002-09-18 公開日 2003-01-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism. J.Biol.Chem., 278, 2003
1MRN	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH BISUBSTRATE INHIBITOR (TP5A) 分子名称: MAGNESIUM ION, P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, ... 著者 Haouz, A, Vanheusden, V, Munier-Lehmann, H, Froeyen, M, Herdewijn, P, Van Calenbergh, S, Delarue, M. 登録日 2002-09-18 公開日 2003-01-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism. J.Biol.Chem., 278, 2003
1N5J	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE DIPHOSPHATE (TDP) AND THYMIDINE TRIPHOSPHATE (TTP) AT PH 5.4 (1.85 A RESOLUTION) 分子名称: MAGNESIUM ION, SULFATE ION, THYMIDINE-5'-DIPHOSPHATE, ... 著者 Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. 登録日 2002-11-06 公開日 2003-04-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 327, 2003
1N5I	CRYSTAL STRUCTURE OF INACTIVE MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) AT PH 4.6 (RESOLUTION 1.85 A) 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CITRATE ANION, SULFATE ION, ... 著者 Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. 登録日 2002-11-06 公開日 2003-04-08 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 327, 2003
1N5K	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE (RESOLUTION 2.1 A) 分子名称: ACETATE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... 著者 Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. 登録日 2002-11-06 公開日 2003-04-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 375, 2003
1N5L	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE, AFTER CATALYSIS IN THE CRYSTAL (2.3 A RESOLUTION) 分子名称: ACETATE ION, DIPHOSPHATE, MAGNESIUM ION, ... 著者 Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. 登録日 2002-11-06 公開日 2003-04-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 375, 2003

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