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 | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-05-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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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 | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-05-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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5G2B
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![BU of 5g2b by Molmil](/molmil-images/mine/5g2b) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008 | Descriptor: | CLASS 1 PHOSPHODIESTERASE PDEB1, FORMIC ACID, GLYCEROL, ... | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | Deposit date: | 2016-04-07 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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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 | Descriptor: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-12 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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 | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-11 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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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 | Descriptor: | 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 | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-10 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | 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 | Descriptor: | (2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-11 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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 | Descriptor: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-12 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | 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 | Descriptor: | 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-11 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyltransferase Eis, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-11 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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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 | Descriptor: | COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | Deposit date: | 2006-12-26 | Release date: | 2008-01-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with oxonate To be Published
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6VYE
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![BU of 6vye by Molmil](/molmil-images/mine/6vye) | |
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 | Descriptor: | COBALT HEXAMMINE(III), FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | Deposit date: | 2006-04-04 | Release date: | 2007-06-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate To be Published
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3GUE
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![BU of 3gue by Molmil](/molmil-images/mine/3gue) | Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330) | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, SULFATE ION, ... | Authors: | Wernimont, A.K, Marino, K, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-29 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330) 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 | Descriptor: | COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | Deposit date: | 2006-12-26 | Release date: | 2008-01-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with orotate To be Published
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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 | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, ... | Authors: | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | Deposit date: | 2006-12-26 | Release date: | 2008-01-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with dihydroorotate To be Published
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4RZJ
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![BU of 4rzj by Molmil](/molmil-images/mine/4rzj) | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with N-acetylglucosamine at 1.98 Angstrom resolution using crystals grown in different conditions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein | Authors: | Pandey, S, Kushwaha, G.S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-12-22 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with N-acetylglucosamine at 1.98 Angstrom resolution using crystals grown in different conditions TO BE PUBLISHED
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4RUH
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![BU of 4ruh by Molmil](/molmil-images/mine/4ruh) | Crystal structure of Human Carnosinase-2 (CN2) in complex with inhibitor, Bestatin at 2.25 A | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Cytosolic non-specific dipeptidase, GLYCEROL, ... | Authors: | pandya, V, Kaushik, A, Singh, A.K, Singh, R.P, Kumaran, S. | Deposit date: | 2014-11-19 | Release date: | 2015-11-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Human Carnosinase-2 (CN2) in complex with inhibitor, Bestatin at 2.25 A TO BE PUBLISHED
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3E0U
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![BU of 3e0u by Molmil](/molmil-images/mine/3e0u) | Crystal structure of T. cruzi GPX1 | Descriptor: | AMMONIUM ION, GLYCEROL, Glutathione peroxidase | Authors: | Patel, S.H, Hussain, S, Harris, R, Driscoll, P, Djordjevic, S. | Deposit date: | 2008-08-01 | Release date: | 2009-08-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the catalytic mechanism of Trypanosoma cruzi GPXI (glutathione peroxidase-like enzyme I). Biochem.J., 425, 2010
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3H9U
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![BU of 3h9u by Molmil](/molmil-images/mine/3h9u) | S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei | Descriptor: | ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ... | Authors: | Siponen, M.I, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh Nielsen, T, Kotenyova, T, Kotzsch, A, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schueler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-30 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei To be Published
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6V9O
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![BU of 6v9o by Molmil](/molmil-images/mine/6v9o) | |
3IDS
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![BU of 3ids by Molmil](/molmil-images/mine/3ids) | Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma cruzi in complex with the irreversible iodoacetamide inhibitor | Descriptor: | ACETAMIDE, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ... | Authors: | Balliano, T.L, Guido, R.V.C, Andricopulo, A.D, Oliva, G. | Deposit date: | 2009-07-21 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma cruzi in complex with the irreversible iodoacetamide inhibitor To be Published
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3W1R
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![BU of 3w1r by Molmil](/molmil-images/mine/3w1r) | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-045a | Descriptor: | 2,6-dioxo-5-(2-phenylethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | Deposit date: | 2012-11-20 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-045a To be Published
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3W1N
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![BU of 3w1n by Molmil](/molmil-images/mine/3w1n) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-iodoorotate | Descriptor: | 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | Deposit date: | 2012-11-19 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-iodoorotate To be Published
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3W1P
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![BU of 3w1p by Molmil](/molmil-images/mine/3w1p) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | Descriptor: | 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | Deposit date: | 2012-11-19 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid To be Published
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