2FO8
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![BU of 2fo8 by Molmil](/molmil-images/mine/2fo8) | Solution structure of the Trypanosoma cruzi cysteine protease inhibitor chagasin | 分子名称: | Chagasin | 著者 | Salmon, D, do Aido-Machado, R, de Lima, A.A.P, Scharfstein, J, Oschkinat, H, Pires, J.R. | 登録日 | 2006-01-13 | 公開日 | 2006-04-04 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure and Backbone Dynamics of the Trypanosoma cruzi Cysteine Protease Inhibitor Chagasin J.Mol.Biol., 357, 2006
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5VTL
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![BU of 5vtl by Molmil](/molmil-images/mine/5vtl) | |
6RSU
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![BU of 6rsu by Molmil](/molmil-images/mine/6rsu) | TBK1 in complex with Inhibitor compound 35 | 分子名称: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1 | 著者 | Panne, D, Hillig, R.C, Rengachari, S. | 登録日 | 2019-05-22 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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8A0K
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![BU of 8a0k by Molmil](/molmil-images/mine/8a0k) | crystal structure of the kinetoplastid kinetochore protein Trypanosoma brucei KKT3 Divergent Polo-Box domain | 分子名称: | DI(HYDROXYETHYL)ETHER, Protein kinase, putative | 著者 | Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O.O, Akiyoshi, B. | 登録日 | 2022-05-27 | 公開日 | 2022-06-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei. Mol.Biol.Cell, 33, 2022
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2E6F
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![BU of 2e6f by Molmil](/molmil-images/mine/2e6f) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with oxonate | 分子名称: | COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | 著者 | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | 登録日 | 2006-12-26 | 公開日 | 2008-01-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with oxonate To be Published
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2B4G
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![BU of 2b4g by Molmil](/molmil-images/mine/2b4g) | dihydroorotate dehydrogenase | 分子名称: | BROMIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | 著者 | Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | 登録日 | 2005-09-23 | 公開日 | 2005-10-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Characterization of Trypanosoma brucei dihydroorotate dehydrogenase as a possible drug target; structural, kinetic and RNAi studies Mol.Microbiol., 68, 2008
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2DJL
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![BU of 2djl by Molmil](/molmil-images/mine/2djl) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate | 分子名称: | COBALT HEXAMMINE(III), FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | 著者 | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | 登録日 | 2006-04-04 | 公開日 | 2007-06-26 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate To be Published
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7A1I
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![BU of 7a1i by Molmil](/molmil-images/mine/7a1i) | Crystal structure of the BILBO2/FPC4 complex | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BILBO1_N domain-containing protein, ... | 著者 | Dong, G. | 登録日 | 2020-08-13 | 公開日 | 2021-07-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structural and functional studies of the first tripartite protein complex at the Trypanosoma brucei flagellar pocket collar. Plos Pathog., 17, 2021
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8D1R
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![BU of 8d1r by Molmil](/molmil-images/mine/8d1r) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520 | 分子名称: | 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-05-27 | 公開日 | 2022-09-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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8D25
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![BU of 8d25 by Molmil](/molmil-images/mine/8d25) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530 | 分子名称: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-05-27 | 公開日 | 2022-09-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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8A0J
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![BU of 8a0j by Molmil](/molmil-images/mine/8a0j) | Crystal structure of the kinetoplastid kinetochore protein Trypanosoma congolense KKT2 divergent polo-box domain | 分子名称: | Uncharacterized protein TCIL3000_11_11110 | 著者 | Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O, Akiyoshi, B. | 登録日 | 2022-05-27 | 公開日 | 2022-06-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei. Mol.Biol.Cell, 33, 2022
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8F4A
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![BU of 8f4a by Molmil](/molmil-images/mine/8f4a) | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chlorhexidine | 分子名称: | 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine, GLYCEROL, N-acetyltransferase Eis | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-11-10 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F55
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![BU of 8f55 by Molmil](/molmil-images/mine/8f55) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with inhibitor SGT1614 | 分子名称: | (2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-11-11 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F57
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![BU of 8f57 by Molmil](/molmil-images/mine/8f57) | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1615 | 分子名称: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-11-12 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F4W
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![BU of 8f4w by Molmil](/molmil-images/mine/8f4w) | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with venlafaxine | 分子名称: | 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-11-11 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F4Z
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![BU of 8f4z by Molmil](/molmil-images/mine/8f4z) | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chloroquine | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyltransferase Eis, ... | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-11-11 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F58
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![BU of 8f58 by Molmil](/molmil-images/mine/8f58) | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1616 | 分子名称: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-11-12 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F51
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![BU of 8f51 by Molmil](/molmil-images/mine/8f51) | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with mefloquine | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-11-11 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8D23
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![BU of 8d23 by Molmil](/molmil-images/mine/8d23) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529 | 分子名称: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | 著者 | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2022-05-27 | 公開日 | 2022-09-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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2E68
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![BU of 2e68 by Molmil](/molmil-images/mine/2e68) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with dihydroorotate | 分子名称: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, ... | 著者 | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | 登録日 | 2006-12-26 | 公開日 | 2008-01-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with dihydroorotate To be Published
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2E6A
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![BU of 2e6a by Molmil](/molmil-images/mine/2e6a) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with orotate | 分子名称: | COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | 著者 | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | 登録日 | 2006-12-26 | 公開日 | 2008-01-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with orotate To be Published
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4UTX
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![BU of 4utx by Molmil](/molmil-images/mine/4utx) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-nitro- propionylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-23 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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420D
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![BU of 420d by Molmil](/molmil-images/mine/420d) | |
6AJA
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![BU of 6aja by Molmil](/molmil-images/mine/6aja) | Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADPH, alpha-ketoglutarate and ca2+ | 分子名称: | 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ... | 著者 | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | 登録日 | 2018-08-27 | 公開日 | 2019-08-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+) To Be Published
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3MCV
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![BU of 3mcv by Molmil](/molmil-images/mine/3mcv) | Structure of PTR1 from Trypanosoma brucei in ternary complex with 2,4-diamino-5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]-pyrimidine and NADP+ | 分子名称: | 5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Tulloch, L.B, Hunter, W.N. | 登録日 | 2010-03-29 | 公開日 | 2010-06-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | High-resolution structures of Trypanosoma brucei pteridine reductase ligand complexes inform on the placement of new molecular entities in the active site of a potential drug target. Acta Crystallogr.,Sect.D, 66, 2010
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