6DIG
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![BU of 6dig by Molmil](/molmil-images/mine/6dig) | Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide | Descriptor: | 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W. | Deposit date: | 2018-05-23 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls. Nat Commun, 10, 2019
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6SJQ
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![BU of 6sjq by Molmil](/molmil-images/mine/6sjq) | |
4F57
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![BU of 4f57 by Molmil](/molmil-images/mine/4f57) | |
2Q0X
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![BU of 2q0x by Molmil](/molmil-images/mine/2q0x) | |
8PRY
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![BU of 8pry by Molmil](/molmil-images/mine/8pry) | |
7QOZ
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![BU of 7qoz by Molmil](/molmil-images/mine/7qoz) | |
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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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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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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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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2J1Q
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![BU of 2j1q by Molmil](/molmil-images/mine/2j1q) | Crystal structure of Trypanosoma cruzi arginine kinase | Descriptor: | ARGININE KINASE, GLYCEROL | Authors: | Fernandez, P, Haouz, A, Pereira, C.A, Aguilar, C, Alzari, P.M. | Deposit date: | 2006-08-15 | Release date: | 2007-07-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of Trypanosoma Cruzi Arginine Kinase. Proteins, 69, 2007
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2O2C
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![BU of 2o2c by Molmil](/molmil-images/mine/2o2c) | Crystal structure of phosphoglucose isomerase from T. brucei containing glucose-6-phosphate in the active site | Descriptor: | GLUCOSE-6-PHOSPHATE, GLYCEROL, Glucose-6-phosphate isomerase, ... | Authors: | Arsenieva, D, Mazock, G.H, Appavu, B.L, Jeffery, C.J. | Deposit date: | 2006-11-29 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of phosphoglucose isomerase from Trypanosoma brucei complexed with glucose-6-phosphate at 1.6 A resolution Proteins, 74, 2008
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7Q1E
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![BU of 7q1e by Molmil](/molmil-images/mine/7q1e) | CPAP:TUBULIN:IIH5 ALPHAREP COMPLEX | Descriptor: | Centromere protein J, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Campanacci, V, Gigant, b. | Deposit date: | 2021-10-19 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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6VYE
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![BU of 6vye by Molmil](/molmil-images/mine/6vye) | |
1ESM
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![BU of 1esm by Molmil](/molmil-images/mine/1esm) | STRUCTURAL BASIS FOR THE FEEDBACK REGULATION OF ESCHERICHIA COLI PANTOTHENATE KINASE BY COENZYME A | Descriptor: | COENZYME A, PANTOTHENATE KINASE | Authors: | Yun, M, Park, C.G, Kim, J.Y, Rock, C.O, Jackowski, S, Park, H.W. | Deposit date: | 2000-04-10 | Release date: | 2000-09-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the feedback regulation of Escherichia coli pantothenate kinase by coenzyme A. J.Biol.Chem., 275, 2000
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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 | Descriptor: | 1-{3-[(4-chlorophenyl)methoxy]phenyl}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 (2.19 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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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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2I9F
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![BU of 2i9f by Molmil](/molmil-images/mine/2i9f) | Structure of the equine arterivirus nucleocapsid protein | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | Authors: | Deshpande, A, Wang, S, Walsh, M, Dokland, T. | Deposit date: | 2006-09-05 | Release date: | 2007-05-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the equine arteritis virus nucleocapsid protein reveals a dimer-dimer arrangement. Acta Crystallogr.,Sect.D, 63, 2007
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2HO2
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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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6V9O
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![BU of 6v9o by Molmil](/molmil-images/mine/6v9o) | |