Author results

4INR
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YEAST 20S PROTEASOME IN COMPLEX WITH THE VINYL SULFONE LU102
Descriptor:Proteasome component Y7, Proteasome component Y13, Proteasome component PRE6, ...
Authors:Geurink, P.P., van der Linden, W.A., Mirabella, A.C., Gallastegui, N., de Bruin, G., Blom, A.E.M., Voges, M.J., Mock, E.D., Florea, B.I., van der Marel, G.A., Driessen, C., van der Stelt, M., Groll, M., Overkleeft, H.S., Kisselev, A.F.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4INT
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YEAST 20S PROTEASOME IN COMPLEX WITH THE VINYL SULFONE LU122
Descriptor:Proteasome component Y7, Proteasome component Y13, Proteasome component PRE6, ...
Authors:Geurink, P.P., van der Linden, W.A., Mirabella, A.C., Gallastegui, N., de Bruin, G., Blom, A.E.M., Voges, M.J., Mock, E.D., Florea, B.I., van der Marel, G.A., Driessen, C., van der Stelt, M., Groll, M., Overkleeft, H.S., Kisselev, A.F.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4INU
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YEAST 20S PROTEASOME IN COMPLEX WITH THE VINYL SULFONE LU112
Descriptor:Proteasome component Y7, Proteasome component Y13, Proteasome component PRE6, ...
Authors:Geurink, P.P., van der Linden, W.A., Mirabella, A.C., Gallastegui, N., de Bruin, G., Blom, A.E.M., Voges, M.J., Mock, E.D., Florea, B.I., van der Marel, G.A., Driessen, C., van der Stelt, M., Groll, M., Overkleeft, H.S., Kisselev, A.F.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4WSJ
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CRYSTAL STRUCTURE OF A BACTERIAL FUCODIASE IN COMPLEX WITH 1-((1R,2R,3R,4R,5R,6R)-2,3,4-TRIHYDROXY-5-METHYL-7-AZABICYCLO[4.1.0]HEPTAN-7-YL)ETHAN-1-ONE
Descriptor:Alpha-L-fucosidase, SULFATE ION, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide
Authors:Davies, G.J., Wright, D.W.
Deposit date:2014-10-28
Release date:2014-11-05
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
4WSK
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CRYSTAL STRUCTURE OF A BACTERIAL FUCOSIDASE WITH PHENYL((1R,2R,3R,4R,5R,6R)-2,3,4-TRIHYDROXY-5-METHYL-7-AZABICYCLO[4.1.0]HEPTAN-7-YL)METHANONE
Descriptor:Alpha-L-fucosidase, SULFATE ION, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ...
Authors:Davies, G.J.
Deposit date:2014-10-28
Release date:2014-11-12
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
5G0Q
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BETA-GLUCURONIDASE WITH AN ACTIVITY-BASED PROBE (N-ALKYL CYCLOPHELLITOL AZIRIDINE) BOUND
Descriptor:BETA-GLUCURONIDASE, (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-, GLYCEROL
Authors:Jin, Y., Wu, L., Jiang, J.B., Overkleeft, H.S., Davies, G.J.
Deposit date:2016-03-22
Release date:2017-04-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5I23
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CRYSTAL STRUCTURE OF AGD31B, ALPHA-TRANSGLUCOSYLASE IN GLYCOSIDE HYDROLASE FAMILY 31, IN COMPLEX WITH CYCLOPHELLITOL AZIRIDINE PROBE CF022
Descriptor:Oligosaccharide 4-alpha-D-glucosyltransferase, TETRAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Wu, L., Davies, G.J.
Deposit date:2016-02-08
Release date:2016-05-04
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
5I24
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CRYSTAL STRUCTURE OF AGD31B, ALPHA-TRANSGLUCOSYLASE IN GLYCOSIDE HYDROLASE FAMILY 31, IN COMPLEX WITH CYCLOPHELLITOL AZIRIDINE PROBE CF021
Descriptor:Oligosaccharide 4-alpha-D-glucosyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Wu, L., Davies, G.J.
Deposit date:2016-02-08
Release date:2016-05-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
5JAW
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STRUCTURE OF A BETA GALACTOSIDASE WITH INHIBITOR
Descriptor:Beta-galactosidase, putative, bgl35A, ...
Authors:Offen, W., Davies, G.
Deposit date:2016-04-12
Release date:2017-05-10
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Towards broad spectrum activity-based glycosidase probes: synthesis and evaluation of deoxygenated cyclophellitol aziridines.
Chem. Commun. (Camb.), 53, 2017
5JHR
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YEAST 20S PROTEASOME IN COMPLEX WITH THE PEPTIDIC EPOXYKETONE INHIBITOR 27
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Huber, E.M., Groll, M.
Deposit date:2016-04-21
Release date:2016-08-03
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
5JHS
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YEAST 20S PROTEASOME IN COMPLEX WITH THE PEPTIDIC EPOXYKETONE INHIBITOR 15
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Huber, E.M., Groll, M.
Deposit date:2016-04-21
Release date:2016-08-03
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
5L77
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A GLYCOSIDE HYDROLASE MUTANT WITH AN UNREACTED ACTIVITY BASED PROBE BOUND
Descriptor:beta-glucuronidase, PHOSPHATE ION, (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, ...
Authors:Jin, Y., Wu, L., Jiang, J.B., Overkleeft, H.S., Davies, G.J.
Deposit date:2016-06-02
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L9Y
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CRYSTAL STRUCTURE OF HUMAN HEPARANASE, IN COMPLEX WITH GLUCURONIC ACID CONFIGURED AZIRIDINE PROBE JJB355
Descriptor:Heparanase, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Wu, L., Jin, Y., Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L9Z
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CRYSTAL STRUCTURE OF HUMAN HEPARANASE NUCLEOPHILE MUTANT (E343Q), IN COMPLEX WITH UNREACTED GLUCURONIC ACID CONFIGURED AZIRIDINE PROBE JJB355
Descriptor:Heparanase, N-ACETYL-D-GLUCOSAMINE, 1,2-ETHANEDIOL, ...
Authors:Wu, L., Jin, Y., Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5LA4
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CRYSTAL STRUCTURE OF APO HUMAN PROHEPARANASE
Descriptor:Heparanase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Wu, L., Jin, Y., Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5LA7
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CRYSTAL STRUCTURE OF HUMAN PROHEPARANASE, IN COMPLEX WITH GLUCURONIC ACID CONFIGURED AZIRIDINE PROBE JJB355
Descriptor:Heparanase, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Wu, L., Jin, Y., Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5NJ2
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CRYSTAL STRUCTURE OF BLAC FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO PHOSPHATE
Descriptor:Beta-lactamase, PHOSPHATE ION, ACETATE ION, ...
Authors:Tassoni, R., Pannu, N.S., Ubbink, M.
Deposit date:2017-03-27
Release date:2017-11-15
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
5OYO
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CRYSTAL STRUCTURE OF BLAC FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Beta-lactamase, ACETATE ION, GLYCEROL, ...
Authors:Tassoni, R., Pannu, N.S.
Deposit date:2017-09-11
Release date:2017-11-15
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
6F4C
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NICOTIANA BENTHAMIANA ALPHA-GALACTOSIDASE
Descriptor:alpha-galactosidase
Authors:Kytidou, K., Aerts, J.M.F.G., Pannu, N.S.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nicotiana benthamianaalpha-galactosidase A1.1 can functionally complement human alpha-galactosidase A deficiency associated with Fabry disease.
J. Biol. Chem., 293, 2018
6HTB
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YEAST 20S PROTEASOME WITH HUMAN BETA2C (S171G)
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Huber, E.M., Groll, M.
Deposit date:2018-10-03
Release date:2019-01-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HTC
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YEAST 20S PROTEASOME WITH HUMAN BETA2C (S171G) IN COMPLEX WITH ONX 0914
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Huber, E.M., Groll, M.
Deposit date:2018-10-03
Release date:2019-01-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HTD
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YEAST 20S PROTEASOME WITH HUMAN BETA2C (S171G) IN COMPLEX WITH 4
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Huber, E.M., Groll, M.
Deposit date:2018-10-03
Release date:2019-01-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HTP
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YEAST 20S PROTEASOME WITH HUMAN BETA2C (S171G) IN COMPLEX WITH 7
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Huber, E.M., Groll, M.
Deposit date:2018-10-04
Release date:2019-01-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HTR
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YEAST 20S PROTEASOME WITH HUMAN BETA2C (S171G) IN COMPLEX WITH 13
Descriptor:PROTEASOME SUBUNIT ALPHA TYPE-2, Proteasome subunit alpha type-3, PROTEASOME SUBUNIT ALPHA TYPE-4, ...
Authors:Huber, E.M., Groll, M.
Deposit date:2018-10-04
Release date:2019-01-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HUB
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YEAST 20S PROTEASOME WITH HUMAN BETA2C (S171G) IN COMPLEX WITH 16
Descriptor:Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, Proteasome subunit alpha type-4, ...
Authors:Huber, E.M., Groll, M.
Deposit date:2018-10-05
Release date:2019-01-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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