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3NYV
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BU of 3nyv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with non-specific inhibitor WHI-P180
Descriptor: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding modes of non-specific inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from T. gondii and C. parvum
To be Published
2HQJ
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BU of 2hqj by Molmil
Cyclophilin from Leishmania major
Descriptor: PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2006-07-18
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cyclophilin from Leishmania major
To be Published
3NCG
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BU of 3ncg by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor NM-PP1
Descriptor: 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-06-04
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
3MWU
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BU of 3mwu by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95
Descriptor: 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-05-06
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
3N51
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BU of 3n51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor RM-1-95
Descriptor: 1,2-ETHANEDIOL, 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-05-24
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
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
3CXM
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BU of 3cxm by Molmil
Leishmania naiffi uracil-DNA glycosylase in complex with 5-bromouracil
Descriptor: 5-bromopyrimidine-2,4(1H,3H)-dione, BROMIDE ION, GLYCEROL, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-04-24
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of Leishmania naiffi uracil-DNA glycosylase in complex with several ligands identified with fragment cocktail crystallography.
To be Published
2GZQ
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BU of 2gzq by Molmil
Phosphatidylethanolamine-binding protein from Plasmodium vivax
Descriptor: Phosphatidylethanolamine-binding protein
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2006-05-11
Release date:2006-05-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structure of Plasmodium vivax phosphatidylethanolamine-binding protein suggests a functional motif containing a left-handed helix
Acta Crystallogr.,Sect.F, 63, 2007
3I7C
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BU of 3i7c by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NA-PP2
Descriptor: 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2010-02-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3I79
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BU of 3i79 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)
Descriptor: 1,2-ETHANEDIOL, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3I7B
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BU of 3i7b by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1
Descriptor: 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
1FD7
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BU of 1fd7 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH BOUND LIGAND BMSC001
Descriptor: HEAT-LABILE ENTEROTOXIN B CHAIN, N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE
Authors:Fan, E, Merritt, E.A, Pickens, J, Ahn, M, Hol, W.G.J.
Deposit date:2000-07-19
Release date:2000-08-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
1G8Z
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BU of 1g8z by Molmil
HIS57ALA MUTANT OF CHOLERA TOXIN B-PENATMER
Descriptor: CHOLERA TOXIN B PROTEIN, beta-D-galactopyranose
Authors:Aman, A.T, Fraser, S, Merritt, E.A, Rodigherio, C, Kenny, M.
Deposit date:2000-11-21
Release date:2001-07-25
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A mutant cholera toxin B subunit that binds GM1- ganglioside but lacks immunomodulatory or toxic activity.
Proc.Natl.Acad.Sci.USA, 98, 2001
3BJE
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BU of 3bje by Molmil
Crystal structure of Trypanosoma brucei nucleoside phosphorylase shows uridine phosphorylase activity
Descriptor: 1-O-phosphono-alpha-D-ribofuranose, CALCIUM ION, Nucleoside phosphorylase, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-12-03
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase
J.Mol.Biol., 396, 2010
3BWC
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BU of 3bwc by Molmil
Crystal structure of spermidine synthase from Trypanosoma cruzi in complex with SAM at 2.3 A resolution
Descriptor: BETA-MERCAPTOETHANOL, S-ADENOSYLMETHIONINE, Spermidine synthase
Authors:Bosch, J, Arakaki, T.L, Le Trong, I, Merritt, E.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-01-09
Release date:2008-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of spermidine synthase from Trypanosoma cruzi.
To be Published
3C61
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BU of 3c61 by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania donovani
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, AZIDE ION, CHLORIDE ION, ...
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-02-01
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dihydroorotate dehydrogenase from Leishmania donovani.
To be Published
3CH7
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BU of 3ch7 by Molmil
Crystal structure of 6-phosphogluconolactonase from Leishmania braziliensis
Descriptor: 6-phosphogluconolactonase
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-03-07
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:6-phosphogluconolactonase from Leishmania braziliensis.
to be published
4N4S
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BU of 4n4s by Molmil
A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor
Descriptor: 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Mitogen-activated protein kinase 1
Authors:Hari, S.B, Maly, D.J, Merritt, E.A.
Deposit date:2013-10-08
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformation-Selective ATP-Competitive Inhibitors Control Regulatory Interactions and Noncatalytic Functions of Mitogen-Activated Protein Kinases.
Chem.Biol., 21, 2014
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
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
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
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
3E3P
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BU of 3e3p by Molmil
Glycogen synthase kinase from Leishmania major
Descriptor: Protein kinase, putative Glycogen synthase kinase
Authors:Arakaki, T.L, Merritt, E.A.
Deposit date:2008-08-07
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Glycogen synthase kinase from Leishmania major
To be Published
3E8J
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BU of 3e8j by Molmil
Coproporphyrinogen III oxidase from Leishmania naiffi
Descriptor: ACETATE ION, COPROPORPHYRINOGEN III OXIDASE, GLYCEROL
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2008-08-19
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural investigation of a protozoan coproporphyrinogen III oxidase
To be Published

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PDB entries from 2024-07-17

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