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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
2ORA
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BU of 2ora by Molmil
RHODANESE (THIOSULFATE: CYANIDE SULFURTRANSFERASE)
Descriptor: OXIDIZED RHODANESE
Authors:Gliubich, F, Gazerro, M, Zanotti, G, Delbono, S, Berni, R.
Deposit date:1996-02-22
Release date:1996-08-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Active site structural features for chemically modified forms of rhodanese.
J.Biol.Chem., 271, 1996
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
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
1IUV
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BU of 1iuv by Molmil
P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 5.0
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L.
Deposit date:1995-11-22
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis.
Biochemistry, 35, 1996
1IUX
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BU of 1iux by Molmil
P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 9.4
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L.
Deposit date:1995-11-22
Release date:1996-07-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis.
Biochemistry, 35, 1996
1IUW
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BU of 1iuw by Molmil
P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 7.4
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L.
Deposit date:1995-11-22
Release date:1996-07-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis.
Biochemistry, 35, 1996
4TR9
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BU of 4tr9 by Molmil
Ternary co-crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP and a small molecule inhibitor
Descriptor: ALA-ALA-ALA-SER-LEU-TYR-GLU-LYS-LYS-ALA-ALA, ALA-ALA-SER-LEU-TYR-GLU-LYS-LYS-ALA-ALA, ASP-TRP-ASN, ...
Authors:Bosch, G, Weltzer, R, O'Malley, K, Bosch, J.
Deposit date:2014-06-15
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Inhibition by stabilization: targeting the Plasmodium falciparum aldolase-TRAP complex.
Malar.J., 14, 2015
3STB
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BU of 3stb by Molmil
A complex of two editosome proteins and two nanobodies
Descriptor: MP18 RNA editing complex protein, RNA-editing complex protein MP42, single domain antibody VHH
Authors:Park, Y.-J, Hol, W.
Deposit date:2011-07-09
Release date:2011-11-02
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a heterodimer of editosome interaction proteins in complex with two copies of a cross-reacting nanobody.
Nucleic Acids Res., 40, 2012
4MXA
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BU of 4mxa by Molmil
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
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
Descriptor: Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-08-14
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
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
3K81
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BU of 3k81 by Molmil
Structure of the central interaction protein from the Trypanosoma brucei editosome in complex with single domain antibodies
Descriptor: MP18 RNA editing complex protein, Single strand antibody VHH domain
Authors:Park, Y.-J, Hol, W.
Deposit date:2009-10-13
Release date:2010-11-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of a key interaction protein from the Trypanosoma brucei editosome in complex with single domain antibodies.
J.Struct.Biol., 174, 2011
1TSI
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BU of 1tsi by Molmil
STRUCTURE OF THE COMPLEX BETWEEN TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AND N-HYDROXY-4-PHOSPHONO-BUTANAMIDE: BINDING AT THE ACTIVE SITE DESPITE AN "OPEN" FLEXIBLE LOOP
Descriptor: N-HYDROXY-4-PHOSPHONO-BUTANAMIDE, TRIOSEPHOSPHATE ISOMERASE
Authors:Verlinde, C.L.M.J.
Deposit date:1992-11-19
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure of the complex between trypanosomal triosephosphate isomerase and N-hydroxy-4-phosphono-butanamide: binding at the active site despite an "open" flexible loop conformation.
Protein Sci., 1, 1992
1BGJ
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BU of 1bgj by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND HIS 162 REPLACED BY ARG (H162R), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1998-05-29
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Interdomain binding of NADPH in p-hydroxybenzoate hydroxylase as suggested by kinetic, crystallographic and modeling studies of histidine 162 and arginine 269 variants.
J.Biol.Chem., 273, 1998
1BF3
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BU of 1bf3 by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 42 REPLACED BY LYS (R42K), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1998-05-26
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lys42 and Ser42 variants of p-hydroxybenzoate hydroxylase from Pseudomonas fluorescens reveal that Arg42 is essential for NADPH binding.
Eur.J.Biochem., 253, 1998
1BGN
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BU of 1bgn by Molmil
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 269 REPLACED BY THR (R269T), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1998-05-29
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interdomain binding of NADPH in p-hydroxybenzoate hydroxylase as suggested by kinetic, crystallographic and modeling studies of histidine 162 and arginine 269 variants.
J.Biol.Chem., 273, 1998
1BKW
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BU of 1bkw by Molmil
p-Hydroxybenzoate hydroxylase (phbh) mutant with cys116 replaced by ser (c116s) and arg44 replaced by lys (r44k), in complex with fad and 4-hydroxybenzoic acid
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
Authors:Eppink, M.H, Schreuder, H.A, Van Berkel, W.J.
Deposit date:1998-07-13
Release date:1998-07-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of mutant Arg44Lys of 4-hydroxybenzoate hydroxylase implications for NADPH binding.
Eur.J.Biochem., 231, 1995
1BOI
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BU of 1boi by Molmil
N-TERMINALLY TRUNCATED RHODANESE
Descriptor: RHODANESE
Authors:Gliubich, F, Berni, R, Cianci, M, Trevino, R.J, Horowitz, P.M, Zanotti, G.
Deposit date:1998-08-04
Release date:1999-04-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:NH2-terminal sequence truncation decreases the stability of bovine rhodanese, minimally perturbs its crystal structure, and enhances interaction with GroEL under native conditions.
J.Biol.Chem., 274, 1999
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
2Q0X
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BU of 2q0x by Molmil
Alpha/Beta hydrolase fold protein of unknown function
Descriptor: GLYCEROL, Uncharacterized protein
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-05-22
Release date:2007-06-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Trypanosoma brucei alpha/beta-hydrolase fold protein with unknown function.
Acta Crystallogr.,Sect.F, 64, 2008
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
1PBC
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BU of 1pbc by Molmil
CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING
Descriptor: 2-HYDROXY-4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE
Authors:Schreuder, H.A, Van Der Bolt, F.J.T, Van Berkel, W.J.H.
Deposit date:1994-07-06
Release date:1994-09-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring
Biochemistry, 33, 1994

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