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4YRI
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BU of 4yri by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(3-bromophenyl)methanamine (Chem 166)
Descriptor: 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, 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 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
6J9Q
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BU of 6j9q by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with AMP-PNP.
Descriptor: GLYCEROL, Glycerol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Reaction mechanism of the reverse reaction of African human trypanosomes glycerol kinase.
To Be Published
6JAF
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BU of 6jaf by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with PPi (pyrophosphatase reaction)
Descriptor: GLYCEROL, Glycerol kinase, PYROPHOSPHATE 2-
Authors:Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
6JKR
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BU of 6jkr by Molmil
Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP)
Descriptor: Aspartate carbamoyltransferase, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
Authors:Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S.
Deposit date:2019-03-01
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6JL5
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BU of 6jl5 by Molmil
Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with aspartate (Asp) and phosphate (Pi).
Descriptor: ASPARTIC ACID, Aspartate carbamoyltransferase, GLYCEROL, ...
Authors:Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S.
Deposit date:2019-03-04
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6J9X
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BU of 6j9x by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase phosphorylated at Thr12(pyrophosphatase reaction)
Descriptor: GLYCEROL, Glycerol kinase
Authors:Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
6JKT
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BU of 6jkt by Molmil
Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with N-(PHOSPHONACETYL)-L-ASPARTIC ACID (PALA).
Descriptor: Aspartate carbamoyltransferase, GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID
Authors:Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S.
Deposit date:2019-03-01
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6J9V
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BU of 6j9v by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with ADP.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Glycerol kinase
Authors:Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reaction mechanism of the reverse reaction of African human trypanosomes glycerol kinase.
To Be Published
6JAE
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BU of 6jae by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with Pi (pyrophosphatase reaction)
Descriptor: GLYCEROL, Glycerol kinase, PHOSPHATE ION
Authors:Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
1QLQ
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BU of 1qlq by Molmil
Bovine Pancreatic Trypsin Inhibitor (BPTI) Mutant with Altered Binding Loop Sequence
Descriptor: PANCREATIC TRYPSIN INHIBITOR, SULFATE ION
Authors:Czapinska, H, Krzywda, S, Sheldrick, G.M, Otlewski, J, Jaskolski, M.
Deposit date:1999-09-10
Release date:1999-10-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:High Resolution Structure of Bovine Pancreatic Trypsin Inhibitor with Altered Binding Loop Sequence
J.Mol.Biol., 295, 1999
4XX8
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BU of 4xx8 by Molmil
Crystal structure of Pro1 deletion mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2015-01-30
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
2VSG
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BU of 2vsg by Molmil
A Structural Motif in the Variant Surface Glycoproteins of Trypanosoma Brucei
Descriptor: VARIANT SURFACE GLYCOPROTEIN ILTAT 1.24
Authors:Blum, M.L, Down, J.A, Metcalf, P, Freymann, D.M, Wiley, D.C.
Deposit date:1998-11-19
Release date:1998-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A structural motif in the variant surface glycoproteins of Trypanosoma brucei.
Nature, 362, 1993
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
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
7GTM
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BU of 7gtm by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000543a
Descriptor: (4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 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
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
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
3ARZ
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BU of 3arz 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 (1.82 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
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
3AS0
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BU of 3as0 by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant 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 (2 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
3ART
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BU of 3art by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant 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 (2.23 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
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

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数据于2024-07-17公开中

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