6YT1
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![BU of 6yt1 by Molmil](/molmil-images/mine/6yt1) | Mtb TMK crystal structure in complex with compound 26 | 分子名称: | 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide, CITRIC ACID, Thymidylate kinase | 著者 | Merceron, R, De Munck, S, Jian, Y, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.N. | 登録日 | 2020-04-23 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents. Eur.J.Med.Chem., 206, 2020
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1MRN
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![BU of 1mrn by Molmil](/molmil-images/mine/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
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5NRN
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![BU of 5nrn by Molmil](/molmil-images/mine/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
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5NRQ
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![BU of 5nrq by Molmil](/molmil-images/mine/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
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5NQ5
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![BU of 5nq5 by Molmil](/molmil-images/mine/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
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5NR7
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![BU of 5nr7 by Molmil](/molmil-images/mine/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
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6CXF
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![BU of 6cxf by Molmil](/molmil-images/mine/6cxf) | |
5JO0
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![BU of 5jo0 by Molmil](/molmil-images/mine/5jo0) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC56 and manganese | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2016-05-01 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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5JBI
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![BU of 5jbi by Molmil](/molmil-images/mine/5jbi) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC52 and manganese | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2016-04-13 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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5JNL
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![BU of 5jnl by Molmil](/molmil-images/mine/5jnl) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC54 and manganese | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2016-04-30 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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5JC1
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![BU of 5jc1 by Molmil](/molmil-images/mine/5jc1) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC55 and manganese | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2016-04-14 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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5JAZ
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![BU of 5jaz by Molmil](/molmil-images/mine/5jaz) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC51 and manganese | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, FORMIC ACID, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2016-04-12 | 公開日 | 2016-08-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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5JMW
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![BU of 5jmw by Molmil](/molmil-images/mine/5jmw) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC50 and manganese | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2016-04-29 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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5JMP
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![BU of 5jmp by Molmil](/molmil-images/mine/5jmp) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC57 and manganese | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2016-04-29 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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6MJ6
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![BU of 6mj6 by Molmil](/molmil-images/mine/6mj6) | Crystal structure of the mCD1d/xxx (JJ166) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJ4
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![BU of 6mj4 by Molmil](/molmil-images/mine/6mj4) | Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MIV
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![BU of 6miv by Molmil](/molmil-images/mine/6miv) | Crystal structure of the mCD1d/xxq (JJ300)/iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJA
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![BU of 6mja by Molmil](/molmil-images/mine/6mja) | Crystal structure of the mCD1d/xxo (JJ294) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJQ
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![BU of 6mjq by Molmil](/molmil-images/mine/6mjq) | Crystal structure of the mCD1d/xxp (JJ295) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-21 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJI
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![BU of 6mji by Molmil](/molmil-images/mine/6mji) | Crystal structure of the mCD1d/xxs (JJ304) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MIY
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![BU of 6miy by Molmil](/molmil-images/mine/6miy) | Crystal structure of the mCD1d/xxa (JJ239)/iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJJ
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![BU of 6mjj by Molmil](/molmil-images/mine/6mjj) | Crystal structure of the mCD1d/xxm (JJ290) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-21 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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1OBC
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![BU of 1obc by Molmil](/molmil-images/mine/1obc) | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A POST-TRANSFER EDITING SUBSTRATE ANALOGUE | 分子名称: | 2'-AMINO-2'-DEOXYADENOSINE, LEUCINE, LEUCYL-TRNA SYNTHETASE, ... | 著者 | Cusack, S, Yaremchuk, A, Tukalo, M. | 登録日 | 2003-01-30 | 公開日 | 2003-05-09 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and Mechanistic Basis of Pre- and Posttransfer Editing by Leucyl-tRNA Synthetase Mol.Cell, 11, 2003
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1OBH
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![BU of 1obh by Molmil](/molmil-images/mine/1obh) | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A PRE-TRANSFER EDITING SUBSTRATE ANALOGUE IN BOTH SYNTHETIC ACTIVE SITE AND EDITING SITE | 分子名称: | LEUCYL-TRNA SYNTHETASE, MERCURY (II) ION, NORVALINE, ... | 著者 | Cusack, S, Yaremchuk, A, Tukalo, M. | 登録日 | 2003-01-31 | 公開日 | 2003-05-09 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and Mechanistic Basis of Pre- and Posttransfer Editing by Leucyl-tRNA Synthetase Mol.Cell, 11, 2003
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6OOR
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![BU of 6oor by Molmil](/molmil-images/mine/6oor) | Structure of 1B1 bound to mouse CD1d | 分子名称: | Antibody 1B1 Heavy chain, Antibody 1B1 Light chain, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Ying, G, Zajonc, D.M. | 登録日 | 2019-04-23 | 公開日 | 2019-07-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural basis of NKT cell inhibition using the T-cell receptor-blocking anti-CD1d antibody 1B1. J.Biol.Chem., 294, 2019
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