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3V5P
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BU of 3v5p by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
Descriptor: 3-(4-methoxy-3-methylphenyl)-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:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
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
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
3C1Q
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BU of 3c1q by Molmil
The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, CHLORIDE ION, ...
Authors:Abendroth, J, Mitchell, D.D, Korotkov, K.V, Kreeger, A, Hol, W.G.J.
Deposit date:2008-01-24
Release date:2009-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 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
3C57
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BU of 3c57 by Molmil
Crystal Structure of the Mycobacterium tuberculosis Hypoxic Response Regulator DosR C-terminal Domain Crystal Form II
Descriptor: TWO COMPONENT TRANSCRIPTIONAL REGULATORY PROTEIN DEVR
Authors:Wisedchaisri, G, Wu, M, Sherman, D.R, Hol, W.G.J.
Deposit date:2008-01-30
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the response regulator DosR from Mycobacterium tuberculosis suggest a helix rearrangement mechanism for phosphorylation activation
J.Mol.Biol., 378, 2008
2SBT
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BU of 2sbt by Molmil
A COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF SUBTILISIN BPN AND SUBTILISIN NOVO
Descriptor: ACETONE, SUBTILISIN NOVO
Authors:Drenth, J, Hol, W.G.J, Jansonius, J.N, Koekoek, R.
Deposit date:1976-09-07
Release date:1976-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A comparison of the three-dimensional structures of subtilisin BPN' and subtilisin novo.
Cold Spring Harbor Symp.Quant.Biol., 36, 1972
1MD2
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BU of 1md2 by Molmil
CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013
Descriptor: 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ...
Authors:Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E.
Deposit date:2002-08-06
Release date:2002-12-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin.
J.Am.Chem.Soc., 124, 2002
1HCY
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BU of 1hcy by Molmil
CRYSTAL STRUCTURE OF HEXAMERIC HAEMOCYANIN FROM PANULIRUS INTERRUPTUS REFINED AT 3.2 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARTHROPODAN HEMOCYANIN, COPPER (II) ION
Authors:Volbeda, A, Hol, W.G.J.
Deposit date:1991-05-15
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution.
J.Mol.Biol., 209, 1989
1HC1
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BU of 1hc1 by Molmil
CRYSTAL STRUCTURE OF HEXAMERIC HAEMOCYANIN FROM PANULIRUS INTERRUPTUS REFINED AT 3.2 ANGSTROMS RESOLUTION
Descriptor: ARTHROPODAN HEMOCYANIN, COPPER (II) ION
Authors:Volbeda, A, Hol, W.G.J.
Deposit date:1991-05-15
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution.
J.Mol.Biol., 209, 1989
2I4S
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BU of 2i4s by Molmil
PDZ domain of EpsC from Vibrio cholerae, residues 204-305
Descriptor: General secretion pathway protein C
Authors:Korotkov, K.V, Krumm, B, Bagdasarian, M, Hol, W.G.J.
Deposit date:2006-08-22
Release date:2006-10-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural and Functional Studies of EpsC, a Crucial Component of the Type 2 Secretion System from Vibrio cholerae.
J.Mol.Biol., 363, 2006
2I6V
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BU of 2i6v by Molmil
PDZ domain of EpsC from Vibrio cholerae, residues 219-305
Descriptor: General secretion pathway protein C
Authors:Korotkov, K.V, Krumm, B, Bagdasarian, M, Hol, W.G.J.
Deposit date:2006-08-29
Release date:2006-10-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural and Functional Studies of EpsC, a Crucial Component of the Type 2 Secretion System from Vibrio cholerae.
J.Mol.Biol., 363, 2006
2PHH
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BU of 2phh by Molmil
THE COENZYME ANALOGUE ADENOSINE 5-DIPHOSPHORIBOSE DISPLACES FAD IN THE ACTIVE SITE OF P-HYDROXYBENZOATE HYDROXYLASE. AN X-RAY CRYSTALLOGRAPHIC INVESTIGATION
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Van Derlaan, J.M, Drenth, J, Hol, W.G.J.
Deposit date:1989-06-19
Release date:1990-10-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The coenzyme analogue adenosine 5-diphosphoribose displaces FAD in the active site of p-hydroxybenzoate hydroxylase. An x-ray crystallographic investigation.
Biochemistry, 28, 1989
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
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
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
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
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
4PHT
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BU of 4pht by Molmil
ATPase GspE in complex with the cytoplasmic domain of GspL from the Vibrio vulnificus type II Secretion system
Descriptor: General secretory pathway protein E, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Lu, C, Korotkov, K, Hol, W.
Deposit date:2014-05-06
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal structure of the full-length ATPase GspE from the Vibrio vulnificus type II secretion system in complex with the cytoplasmic domain of GspL.
J.Struct.Biol., 187, 2014
4PHC
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BU of 4phc by Molmil
Crystal Structure of a human cytosolic histidyl-tRNA synthetase, histidine-bound
Descriptor: GLYCEROL, HISTIDINE, Histidine--tRNA ligase, ...
Authors:Koh, C.Y, Wetzel, A.B, de van der Schueren, W.J, Hol, W.G.J.
Deposit date:2014-05-06
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.844 Å)
Cite:Comparison of histidine recognition in human and trypanosomatid histidyl-tRNA synthetases.
Biochimie, 106, 2014
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
4MWD
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BU of 4mwd by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) and ATP analog AMPPCP
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MVW
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BU of 4mvw by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MWE
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BU of 4mwe by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475)
Descriptor: 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MWB
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BU of 4mwb by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509)
Descriptor: 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW4
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BU of 4mw4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1473)
Descriptor: 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MVX
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BU of 4mvx by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014

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