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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
5TQU
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BU of 5tqu by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor
Descriptor: 2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2016-10-24
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:From Cells to Mice to Target: Characterization of NEU-1053 (SB-443342) and Its Analogues for Treatment of Human African Trypanosomiasis.
ACS Infect Dis, 3, 2017
5J5A
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BU of 5j5a by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556)
Descriptor: METHIONINE, Methionyl-tRNA synthetase, putative, ...
Authors:Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J.
Deposit date:2016-04-01
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
5J58
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BU of 5j58 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856)
Descriptor: (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2016-04-01
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
5J59
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BU of 5j59 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893)
Descriptor: 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2016-04-01
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
5TIM
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BU of 5tim by Molmil
REFINED 1.83 ANGSTROMS STRUCTURE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE, CRYSTALLIZED IN THE PRESENCE OF 2.4 M-AMMONIUM SULPHATE. A COMPARISON WITH THE STRUCTURE OF THE TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE-GLYCEROL-3-PHOSPHATE COMPLEX
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE
Authors:Wierenga, R.K, Hol, W.G.J.
Deposit date:1991-04-23
Release date:1992-10-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Refined 1.83 A structure of trypanosomal triosephosphate isomerase crystallized in the presence of 2.4 M-ammonium sulphate. A comparison with the structure of the trypanosomal triosephosphate isomerase-glycerol-3-phosphate complex.
J.Mol.Biol., 220, 1991
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
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
1CC4
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BU of 1cc4 by Molmil
PHE161 AND ARG166 VARIANTS OF P-HYDROXYBENZOATE HYDROXYLASE. IMPLICATIONS FOR NADPH RECOGNITION AND STRUCTURAL STABILITY.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
Authors:Eppink, M.H.M, Bunthof, C, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1999-03-04
Release date:1999-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phe161 and Arg166 variants of p-hydroxybenzoate hydroxylase. Implications for NADPH recognition and structural stability.
Febs Lett., 443, 1999
1CC6
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BU of 1cc6 by Molmil
PHE161 AND ARG166 VARIANTS OF P-HYDROXYBENZOATE HYDROXYLASE. IMPLICATIONS FOR NADPH RECOGNITION AND STRUCTURAL STABILITY.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
Authors:Eppink, M.H.M, Bunthof, C, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1999-03-04
Release date:1999-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phe161 and Arg166 variants of p-hydroxybenzoate hydroxylase. Implications for NADPH recognition and structural stability.
Febs Lett., 443, 1999
2X0N
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BU of 2x0n by Molmil
Structure of glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma brucei determined from Laue data
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, GLYCOSOMAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Vellieux, F.M.D, Hajdu, J, Hol, W.G.J.
Deposit date:2009-12-16
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma Brucei Determined from Laue Data.
Proc.Natl.Acad.Sci.USA, 90, 1993
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
2MAD
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BU of 2mad by Molmil
THE ACTIVE SITE STRUCTURE OF METHYLAMINE DEHYDROGENASE: HYDRAZINES IDENTIFY C6 AS THE REACTIVE SITE OF THE TRYPTOPHAN DERIVED QUINONE COFACTOR
Descriptor: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT)
Authors:Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J.
Deposit date:1992-05-20
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor.
Biochemistry, 31, 1992
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
Descriptor: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.998 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
3CHB
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BU of 3chb by Molmil
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
1CHQ
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BU of 1chq by Molmil
SURPRISING LEADS FOR A CHOLERA TOXIN RECEPTOR BINDING ANTAGONIST; CRYSTALLOGRAPHIC STUDIES OF CTB MUTANTS
Descriptor: CHOLERA TOXIN B PENTAMER
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1995-02-15
Release date:1996-03-08
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Surprising leads for a cholera toxin receptor-binding antagonist: crystallographic studies of CTB mutants.
Structure, 3, 1995
1CHP
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BU of 1chp by Molmil
SURPRISING LEADS FOR A CHOLERA TOXIN RECEPTOR BINDING ANTAGONIST; CRYSTALLOGRAPHIC STUDIES OF CTB MUTANTS
Descriptor: CHLORIDE ION, CHOLERA TOXIN B PENTAMER
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1995-02-15
Release date:1996-03-08
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Surprising leads for a cholera toxin receptor-binding antagonist: crystallographic studies of CTB mutants.
Structure, 3, 1995
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
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
1CT1
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BU of 1ct1 by Molmil
CHOLERA TOXIN B-PENTAMER MUTANT G33R BOUND TO RECEPTOR PENTASACCHARIDE
Descriptor: CHLORIDE ION, 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-(1-4)-beta-D-glucopyranose
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1997-06-03
Release date:1997-10-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of receptor binding by cholera toxin mutants.
Protein Sci., 6, 1997
3TEC
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BU of 3tec by Molmil
CALCIUM BINDING TO THERMITASE. CRYSTALLOGRAPHIC STUDIES OF THERMITASE AT 0, 5 AND 100 MM CALCIUM
Descriptor: CALCIUM ION, EGLIN C, THERMITASE
Authors:Gros, P, Kalk, K.H, Hol, W.G.J.
Deposit date:1990-10-26
Release date:1992-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Calcium binding to thermitase. Crystallographic studies of thermitase at 0, 5, and 100 mM calcium.
J.Biol.Chem., 266, 1991
1DJR
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BU of 1djr by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE
Descriptor: BENZOIC ACID, GLYCEROL, HEAT-LABILE ENTEROTOXIN, ...
Authors:Minke, W.E, Pickens, J, Merritt, E.A, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:1999-12-03
Release date:2000-06-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of m-carboxyphenyl-alpha-D-galactopyranoside complexed to heat-labile enterotoxin at 1.3 A resolution: surprising variations in ligand-binding modes.
Acta Crystallogr.,Sect.D, 56, 2000

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