4MX9
 
 | | 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
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4MXA
 | | CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 | | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-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 Å) | | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
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3CHB
 | | CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLERA TOXIN, UNKNOWN ATOM OR ION, ... | | Authors: | Merritt, E.A, Hol, W.G.J. | | Deposit date: | 1998-03-24 | | Release date: | 1998-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The 1.25 A resolution refinement of the cholera toxin B-pentamer: evidence of peptide backbone strain at the receptor-binding site.
J.Mol.Biol., 282, 1998
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1EEF
 | | HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG | | Descriptor: | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN), alpha-D-galactopyranose | | Authors: | Merritt, E.A, Hol, W.G.J. | | Deposit date: | 2000-01-31 | | Release date: | 2000-02-16 | | Last modified: | 2024-04-03 | | 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
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3P0I
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1VJQ
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2CHB
 | | CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE | | Descriptor: | CHOLERA TOXIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Merritt, E.A, Hol, W.G.J. | | Deposit date: | 1997-06-03 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies of receptor binding by cholera toxin mutants.
Protein Sci., 6, 1997
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3UPZ
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3UQG
 | | c-SRC kinase domain in complex with bumpless BKI analog UW1243 | | Descriptor: | 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Merritt, E.A, Larson, E.T. | | Deposit date: | 2011-11-20 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
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3UQF
 | | c-SRC kinase domain in complex with BKI RM-1-89 | | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Merritt, E.A, Larson, E.T. | | Deposit date: | 2011-11-20 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
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1HTL
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3V5T
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3UPX
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3V51
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3V5P
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4YSM
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4YUQ
 | | CDPK1 from Eimeria tenella in complex with inhibitor UW1354 | | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-like domain protein kinase | | Authors: | Merritt, E.A. | | Deposit date: | 2015-03-19 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
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4YZB
 | | CDPK1 from Eimeria tenella in complex with inhibitor UW1521 | | Descriptor: | 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine, CALCIUM ION, Calmodulin-like domain protein kinase | | Authors: | Merritt, E.A. | | Deposit date: | 2015-03-24 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
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2Q0X
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2QOR
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1LTB
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1LT5
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1LT6
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1LTA
 | | 2.2 ANGSTROMS CRYSTAL STRUCTURE OF E. COLI HEAT-LABILE ENTEROTOXIN (LT) WITH BOUND GALACTOSE | | Descriptor: | HEAT-LABILE ENTEROTOXIN, SUBUNIT A, SUBUNIT B, ... | | Authors: | Merritt, E.A, Sixma, T.K, Kalk, K.H, Van Zanten, B.A.M, Hol, W.G.J. | | Deposit date: | 1993-09-15 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Galactose-binding site in Escherichia coli heat-labile enterotoxin (LT) and cholera toxin (CT).
Mol.Microbiol., 13, 1994
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1JR0
 | | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011 | | Descriptor: | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit | | Authors: | Merritt, E.A, Hol, W.G.J. | | Deposit date: | 2001-08-09 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
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