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2A5G
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BU of 2a5g by Molmil
Cholera toxin A1 subunit bound to ARF6(Q67L)
Descriptor: ADP-ribosylation factor 6, Cholera enterotoxin, A chain, ...
Authors:O'Neal, C.J, Jobling, M.G, Holmes, R.K, Hol, W.G.J.
Deposit date:2005-06-30
Release date:2005-08-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural basis for the activation of cholera toxin by human ARF6-GTP.
Science, 309, 2005
2A5D
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BU of 2a5d by Molmil
Structural basis for the activation of cholera toxin by human ARF6-GTP
Descriptor: ADP-ribosylation factor 6, Cholera enterotoxin, A chain, ...
Authors:O'Neal, C.J, Jobling, M.G, Holmes, R.K, Hol, W.G.J.
Deposit date:2005-06-30
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the activation of cholera toxin by human ARF6-GTP.
Science, 309, 2005
2A5F
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BU of 2a5f by Molmil
Cholera toxin A1 subunit bound to its substrate, NAD+, and its human protein activator, ARF6
Descriptor: ADP-ribosylation factor 6, Cholera enterotoxin, A chain, ...
Authors:O'Neal, C.J, Jobling, M.G, Holmes, R.K, Hol, W.G.J.
Deposit date:2005-06-30
Release date:2005-08-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis for the activation of cholera toxin by human ARF6-GTP.
Science, 309, 2005
1RFI
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BU of 1rfi by Molmil
Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, pentapeptide KLNYK, and tetranucleotide AGTC
Descriptor: 5'-D(*AP*GP*TP*C)-3', SPERMINE, Topoisomerase I-Derived Peptide, ...
Authors:Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
Deposit date:2003-11-10
Release date:2004-03-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1RG1
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BU of 1rg1 by Molmil
Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTT
Descriptor: 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*T)-3', SPERMINE, ...
Authors:Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
Deposit date:2003-11-10
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1RGT
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BU of 1rgt by Molmil
Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTC
Descriptor: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*C)-3', ...
Authors:Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
Deposit date:2003-11-12
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1RGU
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BU of 1rgu by Molmil
The crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTG
Descriptor: 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*G)-3', SPERMINE, ...
Authors:Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
Deposit date:2003-11-13
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1RFF
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BU of 1rff by Molmil
Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octapeptide KLNYYDPR, and tetranucleotide AGTT.
Descriptor: 5'-D(*AP*GP*TP*T)-3', SPERMINE, Topoisomerase I-Derived Peptide, ...
Authors:Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
Deposit date:2003-11-08
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1RG2
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BU of 1rg2 by Molmil
Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTA
Descriptor: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*A)-3', ...
Authors:Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
Deposit date:2003-11-11
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
1RH0
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BU of 1rh0 by Molmil
Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine and trinucleotide GTT
Descriptor: 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*GP*TP*T)-3', SPERMINE, ...
Authors:Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
Deposit date:2003-11-13
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
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
3BP2
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BU of 3bp2 by Molmil
ROLE OF THE N-TERMINUS IN THE INTERACTION OF PANCREATIC PHOSPHOLIPASE A2 WITH AGGREGATED SUBSTRATES. PROPERTIES AND CRYSTAL STRUCTURE OF TRANSAMINATED PHOSPHOLIPASE A2
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Dijkstra, B.W, Drenth, J.
Deposit date:1983-06-27
Release date:1983-09-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Role of the N-terminus in the interaction of pancreatic phospholipase A2 with aggregated substrates. Properties and crystal structure of transaminated phospholipase A2
Biochemistry, 23, 1984
3DWS
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BU of 3dws by Molmil
Leishmania major Coproporphyrinogen III Oxidase with bound ligand
Descriptor: 5-fluoroindole-2-carboxylic acid, ACETATE ION, Coproporphyrinogen III oxidase
Authors:Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Leishmania major Coproporphyrinogen III Oxidase with bound ligand
To be Published
1PBF
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BU of 1pbf 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 (2.7 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
1PDH
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BU of 1pdh by Molmil
CRYSTAL STRUCTURE OF P-HYDROXYBENZOATE HYDROXYLASE RECONSTITUTED WITH THE MODIFIED FAD PRESENT IN ALCOHOL OXIDASE FROM METHYLOTROPHIC YEASTS: EVIDENCE FOR AN ARABINOFLAVIN
Descriptor: ARABINO-FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Schreuder, H.A, Eppink, M.H.M, Van Berkel, W.J.H.
Deposit date:1994-12-01
Release date:1995-03-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of p-hydroxybenzoate hydroxylase reconstituted with the modified FAD present in alcohol oxidase from methylotrophic yeasts: evidence for an arabinoflavin.
Protein Sci., 3, 1994
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
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
2AUC
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BU of 2auc by Molmil
Structure of the Plasmodium MTIP-MyoA complex, a key component of the parasite invasion motor
Descriptor: Myosin A, Myosin A Tail Interacting Protein
Authors:Bosch, J, Turley, S, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-08-27
Release date:2006-01-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the MTIP-MyoA complex, a key component of the malaria parasite invasion motor.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2B4T
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BU of 2b4t by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 Angstrom resolution reveals intriguing extra electron density in the active site
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, glyceraldehyde-3-phosphate dehydrogenase
Authors:Robien, M.A, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-09-26
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 A resolution reveals intriguing extra electron density in the active site
Proteins, 62, 2006
2B9S
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BU of 2b9s by Molmil
Crystal Structure of heterodimeric L. donovani topoisomerase I-vanadate-DNA complex
Descriptor: 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', 5'-D(*AP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ...
Authors:Davies, D.R, Hol, W.G.J.
Deposit date:2005-10-12
Release date:2006-01-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The Structure of the Transition State of the Heterodimeric Topoisomerase I of Leishmania donovani as a Vanadate Complex with Nicked DNA.
J.Mol.Biol., 357, 2006
2B4R
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BU of 2b4r by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 Angstrom Resolution reveals intriguing extra electron density in the active site
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Robien, M.A, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-09-26
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 A resolution reveals intriguing extra electron density in the active site
Proteins, 62, 2006
2EPH
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BU of 2eph by Molmil
Crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP-tail determined at 2.7 angstrom resolution
Descriptor: Fructose-bisphosphate aldolase, PbTRAP
Authors:Bosch, J, Buscaglia, C.A, Krumm, B, Cardozo, T, Nussenzweig, V, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-03-30
Release date:2007-04-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Aldolase provides an unusual binding site for thrombospondin-related anonymous protein in the invasion machinery of the malaria parasite.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4ZT7
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BU of 4zt7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT4
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BU of 4zt4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitorN-(3,5-dichlorobenzyl)-2,2-difluoro-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1708)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT6
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BU of 4zt6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709)
Descriptor: DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016

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