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4YRK
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BU of 4yrk by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (4-chlorophenyl)methanol (Chem 260)
Descriptor: (4-chlorophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4ZT3
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BU of 4zt3 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614)
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 (2.8 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
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
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
1ORB
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BU of 1orb by Molmil
ACTIVE SITE STRUCTURAL FEATURES FOR CHEMICALLY MODIFIED FORMS OF RHODANESE
Descriptor: ACETATE ION, CARBOXYMETHYLATED RHODANESE
Authors:Gliubich, F, Gazerro, M, Zanotti, G, Delbono, S, Berni, R.
Deposit date:1995-07-24
Release date:1995-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Active site structural features for chemically modified forms of rhodanese.
J.Biol.Chem., 271, 1996
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
1YF9
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BU of 1yf9 by Molmil
Structural analysis of Leishmania major ubiquitin conjugating enzyme E2
Descriptor: CHLORIDE ION, Ubiquitin carrier protein 4
Authors:Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2004-12-31
Release date:2005-02-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Leishmania major ubiquitin conjugating enzyme E2
To be Published
5P2P
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BU of 5p2p by Molmil
X-RAY STRUCTURE OF PHOSPHOLIPASE A2 COMPLEXED WITH A SUBSTRATE-DERIVED INHIBITOR
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2, PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER
Authors:Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J.
Deposit date:1990-09-01
Release date:1991-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structure of phospholipase A2 complexed with a substrate-derived inhibitor.
Nature, 347, 1990
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
1BI2
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BU of 1bi2 by Molmil
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
Descriptor: DIPHTHERIA TOXIN REPRESSOR
Authors:Pohl, E, Hol, W.G.J.
Deposit date:1998-06-21
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
1BI1
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BU of 1bi1 by Molmil
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
Descriptor: DIPHTHERIA TOXIN REPRESSOR
Authors:Pohl, E, Hol, W.G.J.
Deposit date:1998-06-21
Release date:1999-06-22
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
1BI3
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BU of 1bi3 by Molmil
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
Descriptor: DIPHTHERIA TOXIN REPRESSOR, SULFATE ION, ZINC ION
Authors:Pohl, E, Hol, W.G.J.
Deposit date:1998-06-21
Release date:1999-06-22
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
2QAC
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BU of 2qac by Molmil
The closed MTIP-MyosinA-tail complex from the malaria parasite invasion machinery
Descriptor: Myosin A tail domain interacting protein MTIP, Myosin-A
Authors:Bosch, J, Turley, S, Roach, C.M, Daly, T.M, Bergman, L.W, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-06-14
Release date:2007-06-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Closed MTIP-Myosin A-Tail Complex from the Malaria Parasite Invasion Machinery.
J.Mol.Biol., 372, 2007
2RET
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BU of 2ret by Molmil
The crystal structure of a binary complex of two pseudopilins: EpsI and EpsJ from the Type 2 Secretion System of Vibrio vulnificus
Descriptor: CHLORIDE ION, EpsJ, Pseudopilin EpsI, ...
Authors:Yanez, M.E, Korotkov, K.V, Abendroth, J, Hol, W.G.J.
Deposit date:2007-09-27
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The crystal structure of a binary complex of two pseudopilins: EpsI and EpsJ from the type 2 secretion system of Vibrio vulnificus.
J.Mol.Biol., 375, 2008
2TEC
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BU of 2tec by Molmil
MOLECULAR DYNAMICS REFINEMENT OF A THERMITASE-EGLIN-C COMPLEX AT 1.98 ANGSTROMS RESOLUTION AND COMPARISON OF TWO CRYSTAL FORMS THAT DIFFER IN CALCIUM CONTENT
Descriptor: CALCIUM ION, EGLIN C, THERMITASE
Authors:Gros, P, Betzel, C, Dauter, Z, Wilson, K.S, Hol, W.G.J.
Deposit date:1990-10-26
Release date:1992-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Molecular dynamics refinement of a thermitase-eglin-c complex at 1.98 A resolution and comparison of two crystal forms that differ in calcium content.
J.Mol.Biol., 210, 1989
2VMB
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BU of 2vmb by Molmil
The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae
Descriptor: CALCIUM ION, GENERAL SECRETION PATHWAY PROTEIN F
Authors:Abendroth, J, Korotkov, K.V, Mitchell, D.D, Kreger, A, Hol, W.G.J.
Deposit date:2008-01-25
Release date:2009-02-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Three-Dimensional Structure of the Cytoplasmic Domains of Epsf from the Type 2 Secretion System of Vibrio Cholerae.
J.Struct.Biol., 166, 2009
2VMA
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BU of 2vma by Molmil
The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae
Descriptor: CALCIUM ION, GENERAL SECRETION PATHWAY PROTEIN F, IODIDE ION
Authors:Abendroth, J, Korotkov, K.V, Mitchell, D.D, Kreger, A, Hol, W.G.J.
Deposit date:2008-01-25
Release date:2009-02-10
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Three-Dimensional Structure of the Cytoplasmic Domains of Epsf from the Type 2 Secretion System of Vibrio Cholerae.
J.Struct.Biol., 166, 2009
2QV8
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BU of 2qv8 by Molmil
Structure of the minor pseudopilin EpsH from the Type 2 Secretion System of Vibrio cholerae
Descriptor: General secretion pathway protein H
Authors:Yanez, M.E, Korotkov, K.V, Abendroth, J, Hol, W.G.J.
Deposit date:2007-08-07
Release date:2008-02-26
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the minor pseudopilin EpsH from the Type 2 secretion system of Vibrio cholerae.
J.Mol.Biol., 377, 2008
1PHH
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BU of 1phh by Molmil
CRYSTAL STRUCTURE OF P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH ITS REACTION PRODUCT 3,4-DIHYDROXYBENZOATE
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE
Authors:Schreuder, H.A, Drenth, J.
Deposit date:1987-11-04
Release date:1988-04-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of p-hydroxybenzoate hydroxylase complexed with its reaction product 3,4-dihydroxybenzoate.
J.Mol.Biol., 199, 1988
1A7K
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BU of 1a7k by Molmil
GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN A MONOCLINIC CRYSTAL FORM
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION
Authors:Kim, H, Hol, W.G.J.
Deposit date:1998-03-16
Release date:1998-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Leishmania mexicana glycosomal glyceraldehyde-3-phosphate dehydrogenase in a new crystal form confirms the putative physiological active site structure.
J.Mol.Biol., 278, 1998
4EG6
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BU of 4eg6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325
Descriptor: 4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EG1
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BU of 4eg1 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with substrate Methionine
Descriptor: GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EG3
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BU of 4eg3 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with product methionyl-adenylate
Descriptor: GLYCEROL, Methionyl-tRNA synthetase, putative, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EG5
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BU of 4eg5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1312
Descriptor: 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012

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