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1FD7
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BU of 1fd7 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH BOUND LIGAND BMSC001
Descriptor: HEAT-LABILE ENTEROTOXIN B CHAIN, N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE
Authors:Fan, E, Merritt, E.A, Pickens, J, Ahn, M, Hol, W.G.J.
Deposit date:2000-07-19
Release date:2000-08-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
1IIG
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BU of 1iig by Molmil
STRUCTURE OF TRYPANOSOMA BRUCEI BRUCEI TRIOSEPHOSPHATE ISOMERASE COMPLEXED WITH 3-PHOSPHONOPROPIONATE
Descriptor: 3-PHOSPHONOPROPANOIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Noble, M.E, Wierenga, R.K, Lambeir, A.M, Opperdoes, F.R, Thunnissen, A.M, Kalk, K.H, Groendijk, H, Hol, W.G.J.
Deposit date:2001-04-23
Release date:2001-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes.
Proteins, 10, 1991
1IIH
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BU of 1iih by Molmil
STRUCTURE OF TRYPANOSOMA BRUCEI BRUCEI TRIOSEPHOSPHATE ISOMERASE COMPLEXED WITH 3-PHOSPHOGLYCERATE
Descriptor: 3-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Noble, M.E, Wierenga, R.K, Lambeir, A.M, Opperdoes, F.R, Thunnissen, A.M, Kalk, K.H, Groendijk, H, Hol, W.G.J.
Deposit date:2001-04-23
Release date:2001-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes.
Proteins, 10, 1991
1JQY
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BU of 1jqy by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010
Descriptor: (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, HEAT-LABILE ENTEROTOXIN B CHAIN
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2001-08-09
Release date:2002-05-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
1JR0
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BU of 1jr0 by Molmil
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011
Descriptor: (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2001-08-09
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
1JDJ
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BU of 1jdj by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE
Descriptor: 6-CHLORO-2-FLUOROPURINE, GLYCEROL-3-PHOSPHATE DEHYDROGENASE, PENTADECANE
Authors:Suresh, S, Wisedchaisri, G, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J.
Deposit date:2001-06-14
Release date:2002-06-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase.
Chem.Biol., 9, 2002
1EEI
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BU of 1eei by Molmil
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYL-ALPHA-D-GALACTOSE
Descriptor: 3-nitrophenyl alpha-D-galactopyranoside, PROTEIN (CHOLERA TOXIN B)
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2000-01-31
Release date:2000-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
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
1LTB
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BU of 1ltb by Molmil
2.6 ANGSTROMS CRYSTAL STRUCTURE OF PARTIALLY-ACTIVATED E. COLI HEAT-LABILE ENTEROTOXIN (LT)
Descriptor: HEAT-LABILE ENTEROTOXIN, SUBUNIT A, SUBUNIT B
Authors:Merritt, E.A, Sixma, T.K, Hol, W.G.J.
Deposit date:1993-09-15
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of partially-activated E. coli heat-labile enterotoxin (LT) at 2.6 A resolution.
FEBS Lett., 337, 1994
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
1LTT
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BU of 1ltt by Molmil
LACTOSE BINDING TO HEAT-LABILE ENTEROTOXIN REVEALED BY X-RAY CRYSTALLOGRAPHY
Descriptor: HEAT-LABILE ENTEROTOXIN, SUBUNIT A, SUBUNIT B, ...
Authors:Sixma, T.K, Hol, W.G.J.
Deposit date:1992-07-15
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lactose binding to heat-labile enterotoxin revealed by X-ray crystallography.
Nature, 355, 1992
1LLA
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BU of 1lla by Molmil
CRYSTAL STRUCTURE OF DEOXYGENATED LIMULUS POLYPHEMUS SUBUNIT II HEMOCYANIN AT 2.18 ANGSTROMS RESOLUTION: CLUES FOR A MECHANISM FOR ALLOSTERIC REGULATION
Descriptor: CHLORIDE ION, COPPER (II) ION, HEMOCYANIN (SUBUNIT TYPE II), ...
Authors:Hazes, B, Hol, W.G.J.
Deposit date:1992-09-07
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of deoxygenated Limulus polyphemus subunit II hemocyanin at 2.18 A resolution: clues for a mechanism for allosteric regulation.
Protein Sci., 2, 1993
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
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
6MES
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BU of 6mes by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1907)
Descriptor: 1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 2020
1R49
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BU of 1r49 by Molmil
Human topoisomerase I (Topo70) double mutant K532R/Y723F
Descriptor: 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(P*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', DNA topoisomerase I
Authors:Interthal, H, Quigley, P.M, Hol, W.G, Champoux, J.J.
Deposit date:2003-10-03
Release date:2003-12-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:The role of lysine 532 in the catalytic mechanism of human topoisomerase I.
J.Biol.Chem., 279, 2004
2F64
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BU of 2f64 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with 1-METHYLQUINOLIN-2(1H)-ONE bound
Descriptor: 1-METHYLQUINOLIN-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2F2T
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BU of 2f2t by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.7 A resolution with 5-Aminoisoquinoline bound
Descriptor: GLYCEROL, ISOQUINOLIN-5-AMINE, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-17
Release date:2005-11-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2F84
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BU of 2f84 by Molmil
Crystal Structure of an orotidine-5'-monophosphate decarboxylase homolog from P.falciparum
Descriptor: PHOSPHATE ION, orotidine monophosphate decarboxylase
Authors:Caruthers, J.M, Robein, M, Merritt, E.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-12-01
Release date:2005-12-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of an orotidine-5'-monophosphate decarboxylase homolog from Plasmodium falciparum
To be Published
2F62
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BU of 2f62 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.5 A resolution with (2-ETHYLPHENYL)METHANOL bound
Descriptor: (2-ETHYLPHENYL)METHANOL, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2F67
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BU of 2f67 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with BENZO[CD]INDOL-2(1H)-ONE bound
Descriptor: BENZO[CD]INDOL-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2BTM
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BU of 2btm by Molmil
DOES THE HIS12-LYS13 PAIR PLAY A ROLE IN THE ADAPTATION OF THERMOPHILIC TIMS TO HIGH TEMPERATURES?
Descriptor: 2-PHOSPHOGLYCOLIC ACID, PROTEIN (TRIOSEPHOSPHATE ISOMERASE)
Authors:Delboni, L.F, Mande, S.C, Hol, W.G.J.
Deposit date:1999-01-04
Release date:1999-01-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lys13 plays a crucial role in the functional adaptation of the thermophilic triose-phosphate isomerase from Bacillus stearothermophilus to high temperatures.
J.Biol.Chem., 274, 1999
1DPD
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BU of 1dpd by Molmil
CRYSTALLOGRAPHIC AND ENZYMATIC INVESTIGATIONS ON THE ROLE OF SER558, HIS610 AND ASN614 IN THE CATALYTIC MECHANISM OF AZOTOBACTER VINELANDII DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P)
Descriptor: DIHYDROLIPOYL-TRANSACETYLASE
Authors:Hendle, J, Hol, W.G.J.
Deposit date:1995-02-03
Release date:1995-04-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic and enzymatic investigations on the role of Ser558, His610, and Asn614 in the catalytic mechanism of Azotobacter vinelandii dihydrolipoamide acetyltransferase (E2p).
Biochemistry, 34, 1995

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