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PDB: 140 results
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
Descriptor: 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-07-10
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
Descriptor: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-01-28
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 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
3BNW
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BU of 3bnw by Molmil
Crystal structure of riboflavin kinase from Trypanosoma brucei
Descriptor: Riboflavin kinase, putative
Authors:Merritt, E.A, Holmes, M, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-12-14
Release date:2008-01-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Riboflavin kinase from Trypanosoma brucei.
To be Published
1LTB
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BU of 1ltb by Molmil
2.6 ANGSTROMS CRYSTAL STRUCTURE OF PARTIALLY-ACTIVATED E. COLI HEAT-LABILE ENTEROTOXIN (LT)
Descriptor: HEAT-LABILE ENTEROTOXIN, SUBUNIT A, SUBUNIT B
Authors:Merritt, E.A, Sixma, T.K, Hol, W.G.J.
Deposit date:1993-09-15
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of partially-activated E. coli heat-labile enterotoxin (LT) at 2.6 A resolution.
FEBS Lett., 337, 1994
2QT8
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BU of 2qt8 by Molmil
Coproporphyrinogen III oxidase from Leishmania major
Descriptor: ACETATE ION, Coproporphyrinogen III oxidase
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-08-01
Release date:2007-09-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Coproporphyrinogen III oxidase from Leishmania major.
To be Published
1LTA
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BU of 1lta by Molmil
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
1LT5
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BU of 1lt5 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH THIODIGALACTOSIDE
Descriptor: HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1997-09-30
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural foundation for the design of receptor antagonists targeting Escherichia coli heat-labile enterotoxin.
Structure, 5, 1997
1LT6
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BU of 1lt6 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYLGALACTOSIDE
Descriptor: 3-nitrophenyl alpha-D-galactopyranoside, HEAT-LABILE ENTEROTOXIN
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1997-10-01
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural foundation for the design of receptor antagonists targeting Escherichia coli heat-labile enterotoxin.
Structure, 5, 1997
6BFA
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BU of 6bfa by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553
Descriptor: 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2017-10-26
Release date:2017-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
2QOR
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BU of 2qor by Molmil
Crystal structure of Plasmodium vivax guanylate kinase
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase, PYROPHOSPHATE 2-
Authors:Merritt, E.A, Le Trong, I, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-07-20
Release date:2007-08-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Plasmodium vivax guanylate kinase.
To be Published
1LUQ
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BU of 1luq by Molmil
Full Matrix Error Analysis of Streptavidin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BIOTIN, GLYCEROL, ...
Authors:Merritt, E.A, Le Trong, I.
Deposit date:2002-05-23
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Full Matrix Error Analysis of Streptavidin
To be Published
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
Descriptor: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, 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 (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
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
4WG4
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BU of 4wg4 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-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 (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
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
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
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
4YUQ
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BU of 4yuq by Molmil
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
4YZB
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BU of 4yzb by Molmil
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
4Y5Q
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BU of 4y5q by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
Authors:Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2015-02-11
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
To Be Published
6VMT
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BU of 6vmt by Molmil
Leishmania major Programmed Cell Death Protein 5 Homolog
Descriptor: Programmed Cell Death Protein 5 Homolog
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2020-01-28
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Leishmania major Programmed Cell Death Protein 5 Homolog
To be published
4DGG
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BU of 4dgg by Molmil
c-SRC kinase domain in complex with RM-1-176
Descriptor: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-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:2012-01-25
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Active site profiling reveals coupling between domains in SRC-family kinases.
Nat.Chem.Biol., 9, 2013
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
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
3UQF
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BU of 3uqf by Molmil
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
3UQG
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BU of 3uqg by Molmil
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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