Author results

5ABE
  • Download 5abe
  • View 5abe
Molmil generated image of 5abe
STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395, 2-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION
Authors:Bergeron-Brlek, M., Goodwin-Tindall, J., Cekic, N., Varghese, V., Zandberg, W.F., Shan, X., Roth, C., Chan, S., Davies, G.J., Vocadlo, D.J., Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5ABF
  • Download 5abf
  • View 5abf
Molmil generated image of 5abf
STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395, 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, ...
Authors:Bergeron-Brlek, M., Goodwin-Tindall, J., Cekic, N., Varghese, V., Zandberg, W.F., Shan, X., Roth, C., Chan, S., Davies, G.J., Vocadlo, D.J., Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5ABG
  • Download 5abg
  • View 5abg
Molmil generated image of 5abg
STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395, 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide, ...
Authors:Bergeron-Brlek, M., Goodwin-Tindall, J., Cekic, N., Varghese, V., Zandberg, W.F., Shan, X., Roth, C., Chan, S., Davies, G.J., Vocadlo, D.J., Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5ABH
  • Download 5abh
  • View 5abh
Molmil generated image of 5abh
STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395, CHLORIDE ION, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, ...
Authors:Bergeron-Brlek, M., Goodwin-Tindall, J., Cekic, N., Varghese, V., Zandberg, W.F., Shan, X., Roth, C., Chan, S., Davies, G.J., Vocadlo, D.J., Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5M7R
  • Download 5m7r
  • View 5m7r
Molmil generated image of 5m7r
STRUCTURE OF HUMAN O-GLCNAC HYDROLASE
Descriptor:Protein O-GlcNAcase
Authors:Roth, C., Chan, S., Offen, W.A., Hemsworth, G.R., Willems, L.I., King, D., Varghese, V., Britton, R., Vocadlo, D.J., Davies, G.J.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7S
  • Download 5m7s
  • View 5m7s
Molmil generated image of 5m7s
STRUCTURE OF HUMAN O-GLCNAC HYDROLASE WITH BOUND TRANSITION STATE ANALOG THIAMETG
Descriptor:Protein O-GlcNAcase, (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL
Authors:Roth, C., Chan, S., Offen, W.A., Hemsworth, G.R., Willems, L.I., King, D., Varghese, V., Britton, R., Vocadlo, D.J., Davies, G.J.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7T
  • Download 5m7t
  • View 5m7t
Molmil generated image of 5m7t
STRUCTURE OF HUMAN O-GLCNAC HYDROLASE WITH PUGNAC TYPE INHIBITOR
Descriptor:Protein O-GlcNAcase, (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE
Authors:Roth, C., Chan, S., Offen, W.A., Hemsworth, G.R., Willems, L.I., King, D., Varghese, V., Britton, R., Vocadlo, D.J., Davies, G.J.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7U
  • Download 5m7u
  • View 5m7u
Molmil generated image of 5m7u
STRUCTURE OF HUMAN O-GLCNAC HYDROLASE WITH NEW IMINOCYCLITOL TYPE INHIBITOR
Descriptor:Protein O-GlcNAcase, 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide
Authors:Roth, C., Chan, S., Offen, W.A., Hemsworth, G.R., Willems, L.I., King, D., Varghese, V., Britton, R., Vocadlo, D.J., Davies, G.J.
Deposit date:2016-10-28
Release date:2017-03-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M0X
  • Download 5m0x
  • View 5m0x
Molmil generated image of 5m0x
STRUCTURE OF APO STRUCTURE OF GH36 ALPHA-GALACTOSIDASE FROM THERMOTOGA MARITIMA
Descriptor:Alpha-galactosidase, MAGNESIUM ION, SULFATE ION
Authors:Pengelly, R., Gloster, T.
Deposit date:2016-10-06
Release date:2016-11-09
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
5M12
  • Download 5m12
  • View 5m12
Molmil generated image of 5m12
STRUCTURE OF GH36 ALPHA-GALACTOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH INTACT CYCLOPROPYL-CARBASUGAR.
Descriptor:Alpha-galactosidase, SULFATE ION, MAGNESIUM ION, ...
Authors:Pengelly, R., Gloster, T.
Deposit date:2016-10-07
Release date:2016-11-09
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
5M16
  • Download 5m16
  • View 5m16
Molmil generated image of 5m16
STRUCTURE OF GH36 ALPHA-GALACTOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH A HYDROLYSED CYCLOPROPYL CARBASUGAR.
Descriptor:Alpha-galactosidase, SULFATE ION, MAGNESIUM ION, ...
Authors:Pengelly, R., Gloster, T.
Deposit date:2016-10-07
Release date:2016-11-09
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
5M1I
  • Download 5m1i
  • View 5m1i
Molmil generated image of 5m1i
STRUCTURE OF GH36 ALPHA-GALACTOSIDASE FROM THERMOTOGA MARITIMA IN A COVALENT COMPLEX WITH A CYCLOPROPYL CARBASUGAR.
Descriptor:Alpha-galactosidase, SULFATE ION, (1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol, ...
Authors:Pengelly, R., Gloster, T.
Deposit date:2016-10-07
Release date:2016-11-09
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
6GTA
  • Download 6gta
  • View 6gta
Molmil generated image of 6gta
ALPHA-GALACTOSIDASE MUTANT D378A FROM THERMOTOGA MARITIMA IN COMPLEX WITH INTACT CYCLOHEXENE-BASED CARBASUGAR MIMIC OF GALACTOSE WITH 3,5 DIFLUOROPHENYL LEAVING GROUP
Descriptor:Alpha-galactosidase, SULFATE ION, MAGNESIUM ION, ...
Authors:Gloster, T.M., Pengelly, R.J.
Deposit date:2018-06-17
Release date:2018-08-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6GVD
  • Download 6gvd
  • View 6gvd
Molmil generated image of 6gvd
ALPHA-GALACTOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH CYCLOHEXENE-BASED CARBASUGAR MIMIC OF GALACTOSE
Descriptor:Alpha-galactosidase, SULFATE ION, MAGNESIUM ION, ...
Authors:Gloster, T.M., Pengelly, R.J.
Deposit date:2018-06-20
Release date:2018-08-22
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6GWF
  • Download 6gwf
  • View 6gwf
Molmil generated image of 6gwf
ALPHA-GALACTOSIDASE MUTANT D387A FROM THERMOTOGA MARITIMA IN COMPLEX WITH INTACT CYCLOHEXENE-BASED CARBASUGAR MIMIC OF GALACTOSE WITH 2,4-DINITRO LEAVING GROUP
Descriptor:Alpha-galactosidase, SULFATE ION, (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol, ...
Authors:Gloster, T.M., Oehler, V.
Deposit date:2018-06-24
Release date:2018-08-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6GWG
  • Download 6gwg
  • View 6gwg
Molmil generated image of 6gwg
ALPHA-GALACTOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH CYCLOHEXENE-BASED CARBASUGAR MIMIC OF GALACTOSE COVALENTLY LINKED TO THE NUCLEOPHILE
Descriptor:Alpha-galactosidase, SULFATE ION, (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, ...
Authors:Gloster, T.M., Oehler, V.
Deposit date:2018-06-24
Release date:2018-08-22
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6GX8
  • Download 6gx8
  • View 6gx8
Molmil generated image of 6gx8
ALPHA-GALACTOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH HYDROLYSED CYCLOHEXENE-BASED CARBASUGAR MIMIC OF GALACTOSE
Descriptor:Alpha-galactosidase, SULFATE ION, (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, ...
Authors:Gloster, T.M., Oehler, V.
Deposit date:2018-06-26
Release date:2018-08-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018