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4EXV
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BU of 4exv by Molmil
Structure of Kluyveromyces lactis Hsv2p
Descriptor: SULFATE ION, SVP1-like protein 2
Authors:Baskaran, S, Hurley, J.H.
Deposit date:2012-05-01
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Two-Site Recognition of Phosphatidylinositol 3-Phosphate by PROPPINs in Autophagy.
Mol.Cell, 47, 2012
3NB0
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BU of 3nb0 by Molmil
Glucose-6-Phosphate activated form of Yeast Glycogen Synthase
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Glycogen [starch] synthase isoform 2
Authors:Baskaran, S, Hurley, T.D.
Deposit date:2010-06-02
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Structural basis for glucose-6-phosphate activation of glycogen synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3NAZ
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BU of 3naz by Molmil
Basal state form of Yeast Glycogen Synthase
Descriptor: Glycogen [starch] synthase isoform 2, PEPTIDE, SULFATE ION
Authors:Baskaran, S, Hurley, T.D.
Deposit date:2010-06-02
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for glucose-6-phosphate activation of glycogen synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3NCH
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BU of 3nch by Molmil
Yeast Glycogen Synthase (Gsy2p) Basal State Conformation
Descriptor: Glycogen [starch] synthase isoform 2, SULFATE ION
Authors:Baskaran, S, Hurley, T.D.
Deposit date:2010-06-04
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural basis for glucose-6-phosphate activation of glycogen synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3O3C
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BU of 3o3c by Molmil
Glycogen synthase basal state UDP complex
Descriptor: Glycogen [starch] synthase isoform 2, SULFATE ION, URIDINE-5'-DIPHOSPHATE
Authors:Baskaran, S, Hurley, T.D.
Deposit date:2010-07-23
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.512 Å)
Cite:Structural basis for glucose-6-phosphate activation of glycogen synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3RSZ
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BU of 3rsz by Molmil
Maltodextran bound basal state conformation of yeast glycogen synthase isoform 2
Descriptor: Glycogen [starch] synthase isoform 2, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Baskaran, S, Hurley, T.D.
Deposit date:2011-05-02
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.009 Å)
Cite:Multiple Glycogen-binding Sites in Eukaryotic Glycogen Synthase Are Required for High Catalytic Efficiency toward Glycogen.
J.Biol.Chem., 286, 2011
3RT1
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BU of 3rt1 by Molmil
Maltodextarn bound activated state form of yeast glycogen synthase isoform 2
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, DI(HYDROXYETHYL)ETHER, PROTEIN (Glycogen [starch] synthase isoform 2), ...
Authors:Baskaran, S, Hurley, T.D.
Deposit date:2011-05-02
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Multiple Glycogen-binding Sites in Eukaryotic Glycogen Synthase Are Required for High Catalytic Efficiency toward Glycogen.
J.Biol.Chem., 286, 2011
5SUK
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BU of 5suk by Molmil
G6P bound activated state of yeast glycogen synthase 2
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase isoform 2
Authors:Baskaran, S, Mahalingan, K.K, Hurley, T.D.
Deposit date:2016-08-03
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Redox Switch for the Inhibited State of Yeast Glycogen Synthase Mimics Regulation by Phosphorylation.
Biochemistry, 56, 2017
3D14
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BU of 3d14 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
Descriptor: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
Authors:Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J.
Deposit date:2008-05-04
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
6W3H
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BU of 6w3h by Molmil
Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATV Fc, Transferrin receptor protein 1,Transferrin receptor protein 1
Authors:Srivastava, A, Kariolis, M, Wells, R.
Deposit date:2020-03-09
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys.
Sci Transl Med, 12, 2020
3SZB
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BU of 3szb by Molmil
Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
Descriptor: 1-phenylpropan-1-one, ACETATE ION, Aldehyde dehydrogenase, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3SZA
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BU of 3sza by Molmil
Crystal structure of human ALDH3A1 - apo form
Descriptor: ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3SZ9
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BU of 3sz9 by Molmil
Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one
Descriptor: 1,2-ETHANEDIOL, 1-(4-ethylphenyl)propan-1-one, Aldehyde dehydrogenase, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3D15
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BU of 3d15 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314]
Descriptor: 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6
Authors:Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J.
Deposit date:2008-05-04
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
1RWW
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BU of 1rww by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid
Descriptor: 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006
1RWX
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BU of 1rwx by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid
Descriptor: 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006
5SUL
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BU of 5sul by Molmil
Inhibited state structure of yGsy2p
Descriptor: Glycogen [starch] synthase isoform 2, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-MONOPHOSPHATE
Authors:Mahalingan, K.K, Hurley, T.D.
Deposit date:2016-08-03
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Redox Switch for the Inhibited State of Yeast Glycogen Synthase Mimics Regulation by Phosphorylation.
Biochemistry, 56, 2017
3D2I
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BU of 3d2i by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-ethyl]-thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
Descriptor: 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
Authors:Oslob, J.D, Yu, C, Romanowski, M.J.
Deposit date:2008-05-08
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Aurora-A-selective inhibitors
To be Published
3D2K
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BU of 3d2k by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with [7-(2-{2-[3-(3-chloro-phenyl)-ureido]-thiazol-5-yl}-ethylamino)-pyrazolo[4,3-d]pyrimidin-1-yl]-acetic acid
Descriptor: (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid, serine/threonine kinase 6
Authors:Elling, R.A, Oslob, J.D, Yu, C, Romanowski, M.J.
Deposit date:2008-05-08
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Aurora-A-selective inhibitors
To be Published
4KQM
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BU of 4kqm by Molmil
Crystal structure of yeast glycogen synthase E169Q mutant in complex with glucose and UDP
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Gsy2p, ...
Authors:Chikwana, V.M, Hurley, T.D.
Deposit date:2013-05-15
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural basis for 2'-phosphate incorporation into glycogen by glycogen synthase.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KQ1
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BU of 4kq1 by Molmil
Crystal structure of yeast glycogen synthase in complex with uridine-5'-monophosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Gsy2p, ...
Authors:Chikwana, V.M, Hurley, T.D.
Deposit date:2013-05-14
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural basis for 2'-phosphate incorporation into glycogen by glycogen synthase.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KQ2
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BU of 4kq2 by Molmil
Glucose1,2cyclic phosphate bound activated state of Yeast Glycogen Synthase
Descriptor: (2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide, 6-O-phosphono-alpha-D-glucopyranose, BARIUM ION, ...
Authors:Chikwana, V.M, Hurley, T.D.
Deposit date:2013-05-14
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for 2'-phosphate incorporation into glycogen by glycogen synthase.
Proc.Natl.Acad.Sci.USA, 110, 2013

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