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8FBU
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BU of 8fbu by Molmil
Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and Compound-2
Descriptor: (2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Staker, B.L, Fenwick, M.K, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-30
Release date:2023-05-31
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of and Structural Insights into Hit Compounds Targeting N -Myristoyltransferase for Cryptosporidium Drug Development.
Acs Infect Dis., 9, 2023
2F64
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BU of 2f64 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with 1-METHYLQUINOLIN-2(1H)-ONE bound
Descriptor: 1-METHYLQUINOLIN-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
3DWR
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BU of 3dwr by Molmil
Leishmania major coproporphyrinogen III oxidase with bound ligand
Descriptor: ACETATE ION, Coproporphyrinogen III oxidase, cyclopentylacetic acid
Authors:Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Leishmania major coproporphyrinogen III oxidase with bound ligand
To be Published
3DWS
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BU of 3dws by Molmil
Leishmania major Coproporphyrinogen III Oxidase with bound ligand
Descriptor: 5-fluoroindole-2-carboxylic acid, ACETATE ION, Coproporphyrinogen III oxidase
Authors:Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Leishmania major Coproporphyrinogen III Oxidase with bound ligand
To be Published
3FOC
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BU of 3foc by Molmil
Tryptophanyl-tRNA synthetase from Giardia lamblia
Descriptor: GLYCEROL, SULFATE ION, Tryptophanyl-tRNA synthetase
Authors:Arakaki, T.L, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2008-12-29
Release date:2009-01-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The structure of tryptophanyl-tRNA synthetase from Giardia lamblia reveals divergence from eukaryotic homologs.
J.Struct.Biol., 171, 2010
3I7F
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BU of 3i7f by Molmil
Aspartyl tRNA synthetase from Entamoeba histolytica
Descriptor: Aspartyl-tRNA synthetase
Authors:Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the aspartyl-tRNA synthetase from Entamoeba histolytica.
Mol.Biochem.Parasitol., 169, 2010
4K18
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BU of 4k18 by Molmil
Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4K0Y
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BU of 4k0y by Molmil
Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4K1B
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BU of 4k1b by Molmil
Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4GGN
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BU of 4ggn by Molmil
Malaria invasion machinery protein complex
Descriptor: Myosin A tail domain interacting protein MTIP, Myosin-A
Authors:Khamrui, S, Turley, S, Bergman, L.W, Hol, W.G.J.
Deposit date:2012-08-06
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The structure of the D3 domain of Plasmodium falciparum myosin tail interacting protein MTIP in complex with a nanobody.
Mol.Biochem.Parasitol., 190, 2013
6AX8
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BU of 6ax8 by Molmil
Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate
Descriptor: Methionine-tRNA ligase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2017-09-06
Release date:2018-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the drug target Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with a catalytic intermediate.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3KSV
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BU of 3ksv by Molmil
Hypothetical protein from Leishmania major
Descriptor: Uncharacterized protein, ZINC ION
Authors:Han, G.W, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2009-11-23
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hypothetical protein (HIT family) from Leishmania major
To be Published
3KPA
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BU of 3kpa by Molmil
Ubiquitin fold modifier conjugating enzyme from Leishmania major (probable)
Descriptor: probable Ubiquitin fold modifier conjugating enzyme
Authors:Han, G.W, Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2009-11-16
Release date:2009-12-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ubiquitin fold modifier conjugating enzyme from Leishmania major (probable)
To be Published
3P0H
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BU of 3p0h by Molmil
Leishmania major Tyrosyl-tRNA synthetase in complex with fisetin, cubic crystal form
Descriptor: 3,7,3',4'-TETRAHYDROXYFLAVONE, Tyrosyl-tRNA synthetase
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-09-28
Release date:2011-03-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer.
J.Mol.Biol., 409, 2011
3P0J
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BU of 3p0j by Molmil
Leishmania major Tyrosyl-tRNA synthetase in complex with tyrosinol, triclinic crystal form 1
Descriptor: 4-[(2S)-2-amino-3-hydroxypropyl]phenol, SODIUM ION, Tyrosyl-tRNA synthetase
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-09-28
Release date:2011-03-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer.
J.Mol.Biol., 409, 2011
3LC0
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BU of 3lc0 by Molmil
Histidyl-tRNA synthetase from Trypanosoma cruzi (Histidine complex)
Descriptor: HISTIDINE, Histidyl-tRNA synthetase
Authors:Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-01-08
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Trypanosomal Histidyl-tRNA Synthetase Illuminate Differences between Eukaryotic and Prokaryotic Homologs.
J.Mol.Biol., 397, 2010
3LJN
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BU of 3ljn by Molmil
Ankyrin repeat protein from Leishmania major
Descriptor: hypothetical protein
Authors:Holmes, M.A, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2010-01-26
Release date:2010-02-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ankyrin repeat protein from Leishmania major
To be Published
3LSQ
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BU of 3lsq by Molmil
Trypanosoma brucei seryl-tRNA synthetase
Descriptor: MALONATE ION, SODIUM ION, Seryl-tRNA synthetase
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei.
to be published
3LX3
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BU of 3lx3 by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS) in complex with xanthopterin
Descriptor: 2-amino-1,5-dihydropteridine-4,6-dione, 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-24
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
3LSS
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BU of 3lss by Molmil
Trypanosoma brucei seryl-tRNA synthetase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MALONATE ION, SODIUM ION, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei.
to be published
5V49
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BU of 5v49 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1917)
Descriptor: GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2017-03-08
Release date:2017-07-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Optimization of a binding fragment targeting the "enlarged methionine pocket" leads to potent Trypanosoma brucei methionyl-tRNA synthetase inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
3M4P
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BU of 3m4p by Molmil
Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS) in complex with asparaginyl-adenylate
Descriptor: 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparaginyl-tRNA synthetase, putative, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-03-11
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:X-ray crystal structure of asparaginyl-tRNA synthetase from the eukaryotic human pathogen Entamoeba histolytica.
to be published
3HZR
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BU of 3hzr by Molmil
Tryptophanyl-tRNA synthetase homolog from Entamoeba histolytica
Descriptor: Tryptophanyl-tRNA synthetase
Authors:Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-06-24
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
6VYE
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BU of 6vye by Molmil
6-phosphogluconolactonase from Trypanosoma cruzi
Descriptor: 6-phosphogluconolactonase, GLYCEROL, PHOSPHATE ION
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2020-02-26
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:6-phosphogluconolactonase from Trypanosoma cruzi
To be published
2NYL
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BU of 2nyl by Molmil
Crystal structure of Protein Phosphatase 2A (PP2A) holoenzyme with the catalytic subunit carboxyl terminus truncated
Descriptor: MANGANESE (II) ION, Protein phosphatase 2, regulatory subunit A (PR 65), ...
Authors:Xing, Y, Xu, Y, Chen, Y, Chao, Y, Lin, Z, Shi, Y.
Deposit date:2006-11-20
Release date:2006-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the Protein Phosphatase 2A Holoenzyme.
Cell(Cambridge,Mass.), 127, 2006

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