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3SXF
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BU of 3sxf by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89
Descriptor: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3V
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BU of 3t3v by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87
Descriptor: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-25
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3U
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BU of 3t3u by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130
Descriptor: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-25
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
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
3KFL
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BU of 3kfl by Molmil
Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-10-27
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Leishmania major methionyl-tRNA synthetase in complex with intermediate products methionyladenylate and pyrophosphate.
Biochimie, 93, 2011
4DS2
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BU of 4ds2 by Molmil
Ubiquitin conjugating enzyme (putative) from Trypanosoma cruzi
Descriptor: Ubiquitin-conjugating enzyme E2, putative
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2012-02-17
Release date:2012-02-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Ubiquitin conjugating enzyme (putative) from Trypanosoma cruzi
To be Published
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
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
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
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
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
3M0N
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BU of 3m0n by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37A catalytic residue mutant
Descriptor: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-03-03
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
3M3I
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BU of 3m3i by Molmil
Hypothetical protein from Leishmania major
Descriptor: Putative uncharacterized protein
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2010-03-09
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Hypothetical protein from Leishmania major
To be Published
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
3LZE
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BU of 3lze by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37C catalytic residue mutant
Descriptor: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-03-01
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
3M4Q
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BU of 3m4q by Molmil
Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS)
Descriptor: 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 (3 Å)
Cite:X-ray crystal structure of asparaginyl-tRNA synthetase from the eukaryotic human pathogen Entamoeba histolytica.
to be published
4MX9
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BU of 4mx9 by Molmil
CDPK1 from Neospora caninum in complex with inhibitor UW1294
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-09-26
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
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
4YRT
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BU of 4yrt by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(5-hydroxynaphthalen-2-yl)propanamide (Chem 1781)
Descriptor: 1,2-ETHANEDIOL, HISTIDINE, Histidyl-tRNA synthetase, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRG
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BU of 4yrg by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (6-bromopyridin-2-yl)methanol (Chem 149)
Descriptor: (6-bromopyridin-2-yl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRQ
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BU of 4yrq by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-amino-2H-chromen-2-one (Chem 744)
Descriptor: 1,2-ETHANEDIOL, 6-amino-2H-chromen-2-one, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4ZT2
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BU of 4zt2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016

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数据于2024-05-15公开中

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