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4I71
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BU of 4i71 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with a trypanocidal compound
Descriptor: (2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Giannese, F, Degano, M.
Deposit date:2012-11-30
Release date:2013-08-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
3KIP
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BU of 3kip by Molmil
Crystal structure of type-II 3-dehydroquinase from C. albicans
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinase, type II, ...
Authors:Trapani, S, Schoehn, G, Navaza, J, Abergel, C.
Deposit date:2009-11-02
Release date:2010-05-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Macromolecular crystal data phased by negative-stained electron-microscopy reconstructions.
Acta Crystallogr.,Sect.D, 66, 2010
3M8W
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BU of 3m8w by Molmil
Phosphopentomutase from Bacillus cereus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, MANGANESE (II) ION, ...
Authors:Panosian, T.D, Nannemann, D.P, Watkins, G, Wadzinski, B, Bachmann, B.O, Iverson, T.M.
Deposit date:2010-03-19
Release date:2010-12-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle.
J.Biol.Chem., 286, 2011
1IHO
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BU of 1iho by Molmil
CRYSTAL APO-STRUCTURE OF PANTOTHENATE SYNTHETASE FROM E. COLI
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PANTOATE--BETA-ALANINE LIGASE
Authors:von Delft, F, Lewendon, A, Dhanaraj, V, Blundell, T.L, Abell, C, Smith, A.
Deposit date:2001-04-19
Release date:2001-05-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of E. coli pantothenate synthetase confirms it as a member of the cytidylyltransferase superfamily.
Structure, 9, 2001
8OS1
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BU of 8os1 by Molmil
X-ray structure of the Peroxisomal Targeting Signal 1 (PTS1) of Trypanosoma Cruzi PEX5 in complex with the PTS1 peptide
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Napolitano, V, Blat, A, Popowicz, G.M, Dubin, G.
Deposit date:2023-04-17
Release date:2024-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural dynamics of the TPR domain of the peroxisomal cargo receptor Pex5 in Trypanosoma.
Int.J.Biol.Macromol., 280, 2024
4CK9
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BU of 4ck9 by Molmil
STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFT)
Descriptor: (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
Deposit date:2013-12-31
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
4UQH
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BU of 4uqh by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
Descriptor: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ...
Authors:Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
Deposit date:2014-06-23
Release date:2014-08-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
7YXP
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BU of 7yxp by Molmil
Crystal structure of WT AncGR2-LBD WT bound to dexamethasone and SHP coregulator fragment
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
4C0C
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BU of 4c0c by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
Descriptor: 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
Deposit date:2013-08-01
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
1ODZ
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BU of 1odz by Molmil
Expansion of the glycosynthase repertoire to produce defined manno-oligosaccharides
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Mannan endo-1,4-beta-mannosidase, SODIUM ION, ...
Authors:Jahn, M, Stoll, D, Warren, R.A.J, Szabo, L, Singh, P, Gilbert, H.J, Ducros, V.M.A, Davies, G.J, Withers, S.G.
Deposit date:2003-03-17
Release date:2003-07-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Expansion of the Glycosynthase Repertoire to Produce Defined Manno-Oligosaccharides
Chem.Commun.(Camb.), 12, 2003
7GU5
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BU of 7gu5 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster12
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU4
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BU of 7gu4 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster11
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU7
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BU of 7gu7 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster15
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU9
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BU of 7gu9 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster17
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GUA
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BU of 7gua by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster18
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GUC
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BU of 7guc by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster20
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GTZ
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BU of 7gtz by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster5
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU6
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BU of 7gu6 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster14
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU1
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BU of 7gu1 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster7
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GUB
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BU of 7gub by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster19
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GTX
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BU of 7gtx by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster2
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GTW
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BU of 7gtw by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster1
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU0
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BU of 7gu0 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster6
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GTY
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BU of 7gty by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster3
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU8
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BU of 7gu8 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster16
Descriptor: 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:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published

238582

數據於2025-07-09公開中

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