6SXT
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![BU of 6sxt by Molmil](/molmil-images/mine/6sxt) | GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | Deposit date: | 2019-09-26 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.466 Å) | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
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6SM7
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![BU of 6sm7 by Molmil](/molmil-images/mine/6sm7) | Crystal structure of SLA Reductase YihU from E. Coli | Descriptor: | 3-sulfolactaldehyde reductase, BORIC ACID | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2019-08-21 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase Acs Catalysis, 2020
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5FKY
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![BU of 5fky by Molmil](/molmil-images/mine/5fky) | Structure of a hydrolase bound with an inhibitor | Descriptor: | (3aR,5R,6S,7R,7aR)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, GLYCEROL, O-GLCNACASE BT_4395 | Authors: | Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J. | Deposit date: | 2015-10-20 | Release date: | 2016-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase. Chem Sci, 7, 2016
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5FOO
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![BU of 5foo by Molmil](/molmil-images/mine/5foo) | 6-phospho-beta-glucosidase | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHO-BETA-D GLYCOSIDASE, ... | Authors: | Jin, Y, Kwan, D.H, Withers, S.G, Davies, G.J. | Deposit date: | 2015-11-24 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chemoenzymatic Synthesis of 6-Phospho-Cyclophellitol as a Novel Probe of 6-Phospho-Beta-Glucosidases. FEBS Lett., 590, 2016
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6STX
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![BU of 6stx by Molmil](/molmil-images/mine/6stx) | Copper oxidase from Colletotrichum graminicola | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Kelch domain-containing protein, ... | Authors: | Offen, W.A, Henrissat, B, Davies, G.J. | Deposit date: | 2019-09-12 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing Acs Catalysis, 2020
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5FGX
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![BU of 5fgx by Molmil](/molmil-images/mine/5fgx) | Thaumatin solved by native sulphur SAD using synchrotron radiation | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Nass, K.J, Meinhart, A, Barends, T.R.M, Foucar, L, Gorel, A, Aquila, A, Botha, S, Doak, R.B, Koglin, J, Liang, M, Shoeman, R.L, Williams, G.J, Boutet, S, Schlichting, I. | Deposit date: | 2015-12-21 | Release date: | 2016-06-08 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data. Iucrj, 3, 2016
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6SXU
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![BU of 6sxu by Molmil](/molmil-images/mine/6sxu) | |
4NCK
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![BU of 4nck by Molmil](/molmil-images/mine/4nck) | Crystal Structure of Pyrococcus furiosis Rad50 R797G mutation | Descriptor: | CHLORIDE ION, DNA double-strand break repair Rad50 ATPase, MAGNESIUM ION, ... | Authors: | Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S. | Deposit date: | 2013-10-24 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J., 33, 2014
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6GQ3
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![BU of 6gq3 by Molmil](/molmil-images/mine/6gq3) | Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ... | Authors: | Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J. | Deposit date: | 2018-06-07 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity. Commun Biol, 2, 2019
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4NCH
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![BU of 4nch by Molmil](/molmil-images/mine/4nch) | Crystal Structure of Pyrococcus furiosis Rad50 L802W mutation | Descriptor: | DNA double-strand break repair Rad50 ATPase, SULFATE ION | Authors: | Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S. | Deposit date: | 2013-10-24 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J., 33, 2014
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6T6C
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![BU of 6t6c by Molmil](/molmil-images/mine/6t6c) | Complex with chitin oligomer of C-type lysozyme from the upper gastrointestinal tract of Opisthocomus hoatzin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C | Authors: | Taylor, E.J, Skjot, M, Skov, L.K, Klausen, M, De Maria, L, Gippert, G.P, Turkenburg, J.P, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-10-18 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The C-Type Lysozyme from the upper Gastrointestinal Tract of Opisthocomus hoatzin, the Stinkbird. Int J Mol Sci, 20, 2019
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1LLR
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![BU of 1llr by Molmil](/molmil-images/mine/1llr) | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012 | Descriptor: | 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE, 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside, CHOLERA TOXIN B SUBUNIT | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 2002-04-30 | Release date: | 2002-08-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin. J.Am.Chem.Soc., 124, 2002
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4MWB
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![BU of 4mwb by Molmil](/molmil-images/mine/4mwb) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509) | Descriptor: | 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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6TIM
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4MW9
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![BU of 4mw9 by Molmil](/molmil-images/mine/4mw9) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1478) | Descriptor: | 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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5FJB
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![BU of 5fjb by Molmil](/molmil-images/mine/5fjb) | Cyclophilin A Stabilize HIV-1 Capsid through a Novel Non- canonical Binding Site | Descriptor: | GAG POLYPROTEIN, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Liu, C, Perilla, J.R, Ning, J, Lu, M, Hou, G, Ramalhu, R, Bedwell, G.J, Ahn, J, Shi, J, Gronenborn, A.M, Prevelige Jr, P.E, Rousso, I, Aiken, C, Polenova, T, Schulten, K, Zhang, P. | Deposit date: | 2015-10-07 | Release date: | 2016-03-16 | Last modified: | 2017-08-23 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Cyclophilin a Stabilizes the HIV-1 Capsid Through a Novel Non-Canonical Binding Site. Nat.Commun., 7, 2016
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4MVX
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![BU of 4mvx by Molmil](/molmil-images/mine/4mvx) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MWC
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![BU of 4mwc by Molmil](/molmil-images/mine/4mwc) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1540) | Descriptor: | 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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1I32
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![BU of 1i32 by Molmil](/molmil-images/mine/1i32) | LEISHMANIA MEXICANA GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH INHIBITORS | Descriptor: | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | Authors: | Suresh, S, Bressi, J.C, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | Deposit date: | 2001-02-12 | Release date: | 2001-10-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conformational changes in Leishmania mexicana glyceraldehyde-3-phosphate dehydrogenase induced by designed inhibitors. J.Mol.Biol., 309, 2001
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6UMX
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![BU of 6umx by Molmil](/molmil-images/mine/6umx) | Structural basis for specific inhibition of extracellular activation of pro/latent myostatin by SRK-015 | Descriptor: | GL29H4-16 Fab Heavy Chain,GL29H4-16 Fab Heavy Chain, GL29H4-16 Fab Light Chain,GL29H4-16 Fab Light Chain, GLYCEROL, ... | Authors: | Dagbay, K.B, Treece, E, Streich Jr, F.C, Jackson, J.W, Faucette, R.R, Nikiforov, A, Lin, S.C, Bostion, C.J, Nicholls, S.B, Capili, A.D, Carven, G.J. | Deposit date: | 2019-10-10 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis of specific inhibition of extracellular activation of pro- or latent myostatin by the monoclonal antibody SRK-015. J.Biol.Chem., 295, 2020
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4MWD
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![BU of 4mwd by Molmil](/molmil-images/mine/4mwd) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) and ATP analog AMPPCP | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4N7S
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![BU of 4n7s by Molmil](/molmil-images/mine/4n7s) | Crystal structure of Tse3-Tsi3 complex with Zinc ion | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Shang, G.J. | Deposit date: | 2013-10-16 | Release date: | 2014-04-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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6TJK
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![BU of 6tjk by Molmil](/molmil-images/mine/6tjk) | Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane. | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2019-11-26 | Release date: | 2020-06-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis. Acta Crystallogr D Struct Biol, 76, 2020
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4N88
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![BU of 4n88 by Molmil](/molmil-images/mine/4n88) | Crystal structure of Tse3-Tsi3 complex with calcium ion | Descriptor: | CALCIUM ION, Uncharacterized protein | Authors: | Shang, G.J. | Deposit date: | 2013-10-17 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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4MW4
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![BU of 4mw4 by Molmil](/molmil-images/mine/4mw4) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1473) | Descriptor: | 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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