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3I05
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BU of 3i05 by Molmil
Tryptophanyl-tRNA synthetase from Trypanosoma brucei
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 (2.8 Å)
Cite:Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
5VMT
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BU of 5vmt by Molmil
Crystal structure of a glyceraldehyde-3-phosphate dehydrogenase from Neisseria gonorrhoeae bound to NAD
Descriptor: CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-28
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of glyceraldehyde 3-phosphate dehydrogenase in Neisseria gonorrhoeae and Chlamydia trachomatis.
Protein Sci., 29, 2020
3HV0
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BU of 3hv0 by Molmil
Tryptophanyl-tRNA synthetase from Cryptosporidium parvum
Descriptor: TRYPTOPHAN, Tryptophanyl-tRNA synthetase
Authors:Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-06-15
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
4JBV
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BU of 4jbv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268
Descriptor: 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2013-02-20
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes.
Eur.J.Med.Chem., 74, 2014
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
Descriptor: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
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
4PY2
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BU of 4py2 by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor 1-{3-[(3,5-DICHLOROBENZYL)AMINO]PROPYL}-3-THIOPHEN-3-YLUREA
Descriptor: 1,2-ETHANEDIOL, 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, Methionine--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-03-25
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
2NPP
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BU of 2npp by Molmil
Structure of the Protein Phosphatase 2A Holoenzyme
Descriptor: MANGANESE (II) ION, Protein Phosphatase 2, regulatory subunit A (PR 65), ...
Authors:Xu, Y, Chen, Y, Xing, Y, Chao, Y, Shi, Y.
Deposit date:2006-10-28
Release date:2006-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the protein phosphatase 2A holoenzyme
Cell(Cambridge,Mass.), 127, 2006
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
2NYM
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BU of 2nym by Molmil
Crystal Structure of Protein Phosphatase 2A (PP2A) with C-terminus truncated catalytic subunit
Descriptor: MANGANESE (II) ION, Protein phosphatase 2, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ...
Authors:Chen, Y, Xing, Y, Xu, Y, Chao, Y, Lin, Z, Jeffrey, P.D, Shi, Y.
Deposit date:2006-11-21
Release date:2006-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of the Protein Phosphatase 2A Holoenzyme.
Cell(Cambridge,Mass.), 127, 2006
2PGF
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BU of 2pgf by Molmil
Crystal structure of adenosine deaminase from Plasmodium vivax in complex with adenosine
Descriptor: ACETONITRILE, ADENOSINE, ZINC ION, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-04-09
Release date:2007-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structures of substrate- and inhibitor-bound adenosine deaminase from a human malaria parasite show a dramatic conformational change and shed light on drug selectivity.
J.Mol.Biol., 381, 2008
2PGR
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BU of 2pgr by Molmil
Crystal structure of adenosine deaminase from Plasmodium vivax in complex with pentostatin
Descriptor: 2'-DEOXYCOFORMYCIN, ACETONITRILE, ZINC ION, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-04-10
Release date:2007-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of substrate- and inhibitor-bound adenosine deaminase from a human malaria parasite show a dramatic conformational change and shed light on drug selectivity.
J.Mol.Biol., 381, 2008
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
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
4DLP
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BU of 4dlp by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis bound to selenomethionine
Descriptor: Aminoacyl-tRNA synthetase, class I:Aminoacyl-tRNA synthetase, class Ia:Methionyl-tRNA synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-02-06
Release date:2012-02-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
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
3H15
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BU of 3h15 by Molmil
Crystal structure of replication initiation factor MCM10-ID bound to ssDNA
Descriptor: 5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*C)-3', Protein MCM10 homolog, ZINC ION
Authors:Warren, E.M, Eichman, B.F.
Deposit date:2009-04-10
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Physical Interactions between Mcm10, DNA, and DNA Polymerase {alpha}.
J.Biol.Chem., 284, 2009
3HFD
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BU of 3hfd by Molmil
Nucleosome Assembly Protein 1 from Plasmodium knowlesi
Descriptor: Nucleosome assembly protein 1
Authors:Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-05-11
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nucleosome Assembly Protein 1 from Plasmodium knowlesi
To be Published
3HRK
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BU of 3hrk by Molmil
Histidyl-tRNA synthetase from Trypanosoma cruzi (Histidyl-adenylate complex)
Descriptor: CHLORIDE ION, HISTIDYL-ADENOSINE MONOPHOSPHATE, Histidyl-tRNA synthetase
Authors:Arakaki, T.L, Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-06-09
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structures of trypanosomal histidyl-tRNA synthetase illuminate differences between eukaryotic and prokaryotic homologs.
J.Mol.Biol., 397, 2010
3HRI
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BU of 3hri by Molmil
Histidyl-tRNA synthetase (apo) from Trypanosoma brucei
Descriptor: Histidyl-tRNA synthetase
Authors:Arakaki, T.L, Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-06-09
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structures of trypanosomal histidyl-tRNA synthetase illuminate differences between eukaryotic and prokaryotic homologs.
J.Mol.Biol., 397, 2010
3IAL
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BU of 3ial by Molmil
Giardia lamblia Prolyl-tRNA synthetase in complex with prolyl-adenylate
Descriptor: 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine, GLYCEROL, Prolyl-tRNA synthetase
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-14
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the prolyl-tRNA synthetase from the eukaryotic pathogen Giardia lamblia.
Acta Crystallogr.,Sect.D, 68, 2012
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
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published

220113

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