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1MS8
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BU of 1ms8 by Molmil
Triclinic form of Trypanosoma cruzi trans-sialidase, in complex with 3-deoxy-2,3-dehydro-N-acetylneuraminic acid (DANA)
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, trans-sialidase
Authors:Buschiazzo, A, Amaya, M.F, Cremona, M.L, Frasch, A.C, Alzari, P.M.
Deposit date:2002-09-19
Release date:2003-03-25
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure and mode of action of trans-sialidase, a key enzyme in Trypanosoma cruzi pathogenesis
Mol.Cell, 10, 2002
1OA5
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BU of 1oa5 by Molmil
The solution structure of bovine pancreatic trypsin inhibitor at high pressure
Descriptor: PANCREATIC TRYPSIN INHIBITOR
Authors:Williamson, M.P, Akasaka, K, Refaee, M.
Deposit date:2003-01-02
Release date:2003-08-28
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The Solution Structure of Bovine Pancreatic Trypsin Inhibitor at High Pressure
Protein Sci., 12, 2003
5EVF
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BU of 5evf by Molmil
Crystal structure of a Francisella virulence factor FvfA in the hexagonal form
Descriptor: CHLORIDE ION, Francisella virulence factor, GLYCEROL
Authors:Kolappan, S, Lo, K.Y, Shen, C.L.J, Guttman, J.A, Craig, L.
Deposit date:2015-11-19
Release date:2016-10-26
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structure of the conserved Francisella virulence protein FvfA.
Acta Crystallogr D Struct Biol, 73, 2017
3ARQ
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BU of 3arq by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with IDARUBICIN
Descriptor: Chitinase A, GLYCEROL, IDARUBICIN
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
7GSB
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BU of 7gsb by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000438a
Descriptor: 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
3ARP
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BU of 3arp by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with DEQUALINIUM
Descriptor: Chitinase A, DEQUALINIUM, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3ARW
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BU of 3arw by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with chelerythrine
Descriptor: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
7GTE
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BU of 7gte by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000646b
Descriptor: (5S)-5-(trifluoromethyl)-1,4-diazepane, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
4P01
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BU of 4p01 by Molmil
Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with N-[(4-cyanophenyl)methyl]methanethioamide
Descriptor: CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-02-19
Release date:2014-03-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
3CV0
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BU of 3cv0 by Molmil
Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Phosphoglucoisomerase (PGI) PTS1 peptide
Descriptor: 1,2-ETHANEDIOL, Peroxisome targeting signal 1 receptor PEX5, T. brucei PGI PTS1 peptide Ac-FNELSHL
Authors:Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J.
Deposit date:2008-04-17
Release date:2008-06-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
3CVL
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BU of 3cvl by Molmil
Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Phosphofructokinase (PFK) PTS1 peptide
Descriptor: Peroxisome targeting signal 1 receptor PEX5, T. brucei PFK PTS1 peptide Ac-HEELAKL
Authors:Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J.
Deposit date:2008-04-18
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
3ARV
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BU of 3arv by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with Sanguinarine
Descriptor: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Chitinase A, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3ARO
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BU of 3aro by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - apo structure
Descriptor: Chitinase A, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3ARY
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BU of 3ary by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran
Descriptor: 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole, Chitinase A, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3ARX
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BU of 3arx by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with Propentofylline
Descriptor: 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, Chitinase A, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3CVN
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BU of 3cvn by Molmil
Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) PTS1 peptide
Descriptor: 1,2-ETHANEDIOL, Peroxisome targeting signal 1 receptor, T. brucei GAPDH PTS1 peptide Ac-DRDAAKL
Authors:Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J.
Deposit date:2008-04-18
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
5BSI
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BU of 5bsi by Molmil
Crystal structure of Y36A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2015-06-02
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4LZ5
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BU of 4lz5 by Molmil
Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-[(2R)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide, ...
Authors:Pandit, J.
Deposit date:2013-07-31
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators.
J.Med.Chem., 56, 2013
4PKK
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BU of 4pkk by Molmil
Crystal structure of Macrophage Migration inhibitory factor in complex with furan-2-ylmethyl)imino methanethiol
Descriptor: (Z)-[(furan-2-ylmethyl)imino]methanethiol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-05-14
Release date:2016-05-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of Macrophage Migration inhibitory factor with a covalent inhibitor
To Be Published
3AS3
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BU of 3as3 by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran
Descriptor: 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole, Chitinase A, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3AS1
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BU of 3as1 by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with chelerythrine
Descriptor: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
4OJN
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BU of 4ojn by Molmil
Crystal structure of human muscle L-lactate dehydrogenase
Descriptor: GLYCEROL, L-lactate dehydrogenase A chain, PENTAETHYLENE GLYCOL
Authors:Kolappan, S, Craig, L.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
1MS0
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BU of 1ms0 by Molmil
Monoclinic form of Trypanosoma cruzi trans-sialidase, in complex with 3-deoxy-2,3-dehydro-N-acetylneuraminic acid (DANA)and lactose
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, trans-sialidase
Authors:Buschiazzo, A, Amaya, M.F, Cremona, M.L, Frasch, A.C, Alzari, P.M.
Deposit date:2002-09-19
Release date:2003-03-25
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure and mode of action of trans-sialidase, a key enzyme in Trypanosoma cruzi pathogenesis
Mol.Cell, 10, 2002
1MS3
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BU of 1ms3 by Molmil
Monoclinic form of Trypanosoma cruzi trans-sialidase
Descriptor: trans-sialidase
Authors:Buschiazzo, A, Amaya, M.F, Cremona, M.L, Frasch, A.C, Alzari, P.M.
Deposit date:2002-09-19
Release date:2003-03-25
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure and mode of action of trans-sialidase, a key enzyme in Trypanosoma cruzi pathogenesis
Mol.Cell, 10, 2002
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

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