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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2VVT
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![BU of 2vvt by Molmil](/molmil-images/mine/2vvt) | Glutamate Racemase (MurI) from E. faecalis in complex with a 9-Benzyl Purine inhibitor | Descriptor: | 2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine, D-GLUTAMIC ACID, GLUTAMATE RACEMASE | Authors: | Geng, B, Breault, G, Comita-Prevoir, J, Petrichko, R, Eyermann, C, Lundqvist, T, Doig, P, Gorseth, E, Noonan, B. | Deposit date: | 2008-06-11 | Release date: | 2008-06-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Exploring 9-Benzyl Purines as Inhibitors of Glutamate Racemase (Muri) in Gram-Positive Bacteria. Bioorg.Med.Chem.Lett., 18, 2008
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6JV9
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![BU of 6jv9 by Molmil](/molmil-images/mine/6jv9) | Crystal Structure of Human CRMP2 1-532, unmodified | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dihydropyrimidinase-related protein 2, ... | Authors: | Jiang, X, Ogawa, T, Hirokawa, N. | Deposit date: | 2019-04-16 | Release date: | 2019-10-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis. Life Sci Alliance, 2, 2019
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4N7G
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![BU of 4n7g by Molmil](/molmil-images/mine/4n7g) | Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-15 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction. Angew.Chem.Int.Ed.Engl., 53, 2014
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5Z21
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![BU of 5z21 by Molmil](/molmil-images/mine/5z21) | The ternary structure of D-lactate dehydrogenase from Fusobacterium nucleatum with NADH and oxamate | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-lactate dehydrogenase, OXAMIC ACID | Authors: | Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H. | Deposit date: | 2017-12-28 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria. Biochemistry, 57, 2018
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4MP0
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![BU of 4mp0 by Molmil](/molmil-images/mine/4mp0) | Structure of a second nuclear PP1 Holoenzyme, crystal form 2 | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Choy, M.S, Hieke, M, Peti, W, Page, R. | Deposit date: | 2013-09-12 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1003 Å) | Cite: | Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code. Proc.Natl.Acad.Sci.USA, 111, 2014
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3GIP
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![BU of 3gip by Molmil](/molmil-images/mine/3gip) | Crystal structure of N-acyl-D-Glutamate Deacylase from Bordetella Bronchiseptica complexed with zinc, acetate and formate ions. | Descriptor: | ACETIC ACID, FORMIC ACID, N-acyl-D-glutamate deacylase, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | Deposit date: | 2009-03-05 | Release date: | 2009-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Annotating enzymes of uncertain function: the deacylation of D-amino acids by members of the amidohydrolase superfamily. Biochemistry, 48, 2009
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3S7S
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![BU of 3s7s by Molmil](/molmil-images/mine/3s7s) | |
3G79
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![BU of 3g79 by Molmil](/molmil-images/mine/3g79) | Crystal structure of NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase from Methanosarcina mazei Go1 | Descriptor: | NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-02-09 | Release date: | 2009-02-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase from Methanosarcina mazei Go1 To be Published
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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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1NR6
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![BU of 1nr6 by Molmil](/molmil-images/mine/1nr6) | MICROSOMAL CYTOCHROME P450 2C5/3LVDH COMPLEX WITH DICLOFENAC | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wester, M.R, Johnson, E.F, Stout, C.D. | Deposit date: | 2003-01-23 | Release date: | 2003-08-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Mammalian Cytochrome P450 2C5 Complexed with Diclofenac at 2.1 A Resolution: Evidence for an Induced Fit Model of Substrate Binding Biochemistry, 42, 2003
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4TR6
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![BU of 4tr6 by Molmil](/molmil-images/mine/4tr6) | Crystal structure of DNA polymerase sliding clamp from Bacillus subtilis | Descriptor: | DNA polymerase III subunit beta, SODIUM ION | Authors: | Burnouf, D, Olieric, V, Ennifar, E, Wolff, P. | Deposit date: | 2014-06-14 | Release date: | 2014-09-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Differential Modes of Peptide Binding onto Replicative Sliding Clamps from Various Bacterial Origins. J.Med.Chem., 57, 2014
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4N84
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![BU of 4n84 by Molmil](/molmil-images/mine/4n84) | Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-17 | Release date: | 2014-02-19 | Last modified: | 2014-03-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MOA
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![BU of 4moa by Molmil](/molmil-images/mine/4moa) | Crystal structure of CRY4BA-R203Q TOXIN | Descriptor: | Pesticidal crystal protein cry4Ba | Authors: | Thamwiriyasati, N, Angsuthanasombat, C, Chen, C.-J. | Deposit date: | 2013-09-11 | Release date: | 2014-12-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potential Prepore Trimer Formation by the Bacillus thuringiensis Mosquito-specific Toxin: MOLECULAR INSIGHTS INTO A CRITICAL PREREQUISITE OF MEMBRANE-BOUND MONOMERS J.Biol.Chem., 290, 2015
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5V6C
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![BU of 5v6c by Molmil](/molmil-images/mine/5v6c) | Crystal Structure of the Second beta-Prism Domain of RbmC from V. cholerae | Descriptor: | GLYCEROL, Hemolysin-related protein | Authors: | De, S, Kaus, K, Sinclair, S, Case, B.C, Olson, R. | Deposit date: | 2017-03-16 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of mammalian glycan targeting by Vibrio cholerae cytolysin and biofilm proteins. PLoS Pathog., 14, 2018
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4RSK
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![BU of 4rsk by Molmil](/molmil-images/mine/4rsk) | |
4RWK
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![BU of 4rwk by Molmil](/molmil-images/mine/4rwk) | Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M) in complex with N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE (AZD4547) | Descriptor: | Fibroblast growth factor receptor 1, MAGNESIUM ION, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide | Authors: | Sohl, C.D, Anderson, K.S. | Deposit date: | 2014-12-04 | Release date: | 2015-04-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.982 Å) | Cite: | Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy. Acs Chem.Biol., 10, 2015
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7WFG
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![BU of 7wfg by Molmil](/molmil-images/mine/7wfg) | Subcomplexes A and E in NDH complex from Arabidopsis | Descriptor: | IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase subunit H, chloroplastic, ... | Authors: | Pan, X.W, Li, M. | Deposit date: | 2021-12-26 | Release date: | 2022-03-16 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.33 Å) | Cite: | Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana. Mol Plant, 15, 2022
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3TMZ
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![BU of 3tmz by Molmil](/molmil-images/mine/3tmz) | Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2011-09-01 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules. Biochemistry, 51, 2012
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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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5XNK
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![BU of 5xnk by Molmil](/molmil-images/mine/5xnk) | Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with DL-methyl-aspartate | Descriptor: | (2S,3S)-3-methyl-aspartic acid, 3-METHYL-BETA-D-ASPARTIC ACID, McyF | Authors: | Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2017-05-23 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure-function Analyses of a Cyanobacterial Aspartate Racemase Reveal Its Catalytic Mechanism and Substrate Specificity To Be Published
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3G5H
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![BU of 3g5h by Molmil](/molmil-images/mine/3g5h) | Crystallographic analysis of cytochrome P450 cyp121 | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Belin, P, Le Du, M.H, Gondry, M. | Deposit date: | 2009-02-05 | Release date: | 2009-04-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 106, 2009
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4MVW
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![BU of 4mvw by Molmil](/molmil-images/mine/4mvw) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) | 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 (2.901 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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4MWE
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![BU of 4mwe by Molmil](/molmil-images/mine/4mwe) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475) | Descriptor: | 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]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 (2.45 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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