Author results

2WKL
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VELAGLUCERASE ALFA
Descriptor:GLUCOSYLCERAMIDASE, N-ACETYL-D-GLUCOSAMINE, SULFATE ION
Authors:Brumshtein, B., Salinas, P., Peterson, B., Chan, V., Silman, I., Sussman, J.L., Savickas, P.J., Robinson, G.S., Futerman, A.H.
Deposit date:2009-06-15
Release date:2009-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Characterization of Gene-Activated Human Acid-Beta-Glucosidase: Crystal Structure, Glycan Composition and Internalization Into Macrophages.
Glycobiology, 20, 2010
2J25
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PARTIALLY DEGLYCOSYLATED GLUCOCERAMIDASE
Descriptor:GLUCOSYLCERAMIDASE, N-ACETYL-D-GLUCOSAMINE, SULFATE ION, ...
Authors:Brumshtein, B., Wormald, M.R., Silman, I., Futerman, A.H., Sussman, J.L.
Deposit date:2006-08-16
Release date:2006-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Comparison of Differently Glycosylated Forms of Acid-Beta-Glucosidase, the Defective Enzyme in Gaucher Disease
Acta Crystallogr.,Sect.D, 62, 2006
2V3D
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ACID-BETA-GLUCOSIDASE WITH N-BUTYL-DEOXYNOJIRIMYCIN
Descriptor:GLUCOSYLCERAMIDASE, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Brumshtein, B., Greenblatt, H.M., Butters, T.D., Shaaltiel, Y., Aviezer, D., Silman, I., Futerman, A.H., Sussman, J.L.
Deposit date:2007-06-17
Release date:2007-08-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structures of Complexes of N-Butyl- and N-Nonyl-Deoxynojirimycin Bound to Acid Beta-Glucosidase: Insights Into the Mechanism of Chemical Chaperone Action in Gaucher Disease.
J.Biol.Chem., 282, 2007
2V3E
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ACID-BETA-GLUCOSIDASE WITH N-NONYL-DEOXYNOJIRIMYCIN
Descriptor:GLUCOSYLCERAMIDASE, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Brumshtein, B., Greenblatt, H.M., Butters, T.D., Shaaltiel, Y., Aviezer, D., Silman, I., Futerman, A.H., Sussman, J.L.
Deposit date:2007-06-17
Release date:2007-08-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Complexes of N-Butyl- and N-Nonyl-Deoxynojirimycin Bound to Acid Beta-Glucosidase: Insights Into the Mechanism of Chemical Chaperone Action in Gaucher Disease.
J.Biol.Chem., 282, 2007
2WCG
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X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH N-OCTYL(CYCLIC GUANIDINE)-NOJIRIMYCIN IN THE ACTIVE SITE
Descriptor:GLUCOSYLCERAMIDASE, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Brumshtein, B., Aguilar, M., Garcia-Moreno, M.I., Mellet, C.O., Garcia-Fernandez, J.M., Silman, I., Shaaltiel, Y., Aviezer, D., Sussman, J.L., Futerman, A.H.
Deposit date:2009-03-12
Release date:2009-11-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:6-Amino-6-Deoxy-5,6-Di-N-(N'-Octyliminomethylidene)Nojirimycin: Synthesis, Biological Evaluation, and Crystal Structure in Complex with Acid Beta-Glucosidase.
Chembiochem, 10, 2009
2XWD
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X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6O-(N'-(N-OCTYL)IMINO)NOJIRIMYCIN IN THE ACTIVE SITE
Descriptor:GLUCOSYLCERAMIDASE, N-ACETYL-D-GLUCOSAMINE, ALPHA-D-MANNOSE, ...
Authors:Brumshtein, B., Aguilar-Moncayo, M., Benito, J.M., Ortiz Mellet, C., Garcia Fernandez, J.M., Silman, I., Shaaltiel, Y., Sussman, J.L., Futerman, A.H.
Deposit date:2010-11-01
Release date:2011-09-14
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Cyclodextrin-Mediated Crystallization of Acid Beta-Glucosidase in Complex with Amphiphilic Bicyclic Nojirimycin Analogues.
Org.Biomol.Chem., 9, 2011
2XWE
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X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6S-(N'-(N-OCTYL)IMINO)-6-THIONOJIRIMYCIN IN THE ACTIVE SITE
Descriptor:GLUCOSYLCERAMIDASE, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Brumshtein, B., Aguilar-Moncayo, M., Benito, J.M., Ortiz Mellet, C., Garcia Fernandez, J.M., Silman, I., Shaaltiel, Y., Sussman, J.L., Futerman, A.H.
Deposit date:2010-11-02
Release date:2011-09-14
Last modified:2017-01-11
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Cyclodextrin-Mediated Crystallization of Acid Beta-Glucosidase in Complex with Amphiphilic Bicyclic Nojirimycin Analogues.
Org.Biomol.Chem., 9, 2011
4UNT
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INDUCED MONOMER OF THE MCG VARIABLE DOMAIN
Descriptor:IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION
Authors:Brumshtein, B., Esswein, S.R., Landau, M., Ryan, C.M., Whitelegge, J.P., Phillips, M.L., Cascio, D., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2014-08-27
Last modified:2014-10-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
4UNU
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MCG - A DIMER OF LAMBDA VARIABLE DOMAINS
Descriptor:IG LAMBDA CHAIN V-II REGION MGC, POLYETHYLENE GLYCOL (N=34), SULFATE ION
Authors:Brumshtein, B., Esswein, S.R., Landau, M., Ryan, C., Whitelegge, J., Casio, D., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2014-08-27
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
4UNV
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COVALENT DIMER OF LAMBDA VARIABLE DOMAINS
Descriptor:IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION
Authors:Brumshtein, B., Esswein, S., Landau, M., Ryan, C., Whitelegge, J., Sawaya, M., Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2014-08-27
Last modified:2014-10-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
5ACL
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MCG IMMUNOGLOBULIN VARIABLE DOMAIN WITH SULFASALAZINE
Descriptor:MCG, 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, SULFATE ION
Authors:Brumshtein, B., Esswein, S.R., Salwinski, L., Phillips, M.L., Ly, A.T., Cascio, D., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2015-08-17
Release date:2015-12-02
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Inhibition by small-molecule ligands of formation of amyloid fibrils of an immunoglobulin light chain variable domain.
Elife, 4, 2015
5ACM
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MCG IMMUNOGLOBULIN VARIABLE DOMAIN WITH METHYLENE BLUE
Descriptor:MCG, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, SULFATE ION, ...
Authors:Brumshtein, B., Esswein, S.R., Salwinski, L., Phillips, M.L., Ly, A.T., Cascio, D., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2015-08-17
Release date:2015-12-02
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Inhibition by small-molecule ligands of formation of amyloid fibrils of an immunoglobulin light chain variable domain.
Elife, 4, 2015
6DIX
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NFVFGT SEGMENT FROM HUMAN IMMUNOGLOBULIN LIGHT-CHAIN VARIABLE DOMAIN, RESIDUES 98-103, ASSEMBLED AS AN AMYLOID FIBRIL
Descriptor:NFVFGT Immunoglobulin Light-Chain Variable Domain
Authors:Brumshtein, B., Esswein, S.R., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2018-05-23
Release date:2018-10-31
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (1 Å)
Cite:Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis.
J. Biol. Chem., 293, 2018
6DIY
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YTFGQ SEGMENT FROM HUMAN IMMUNOGLOBULIN LIGHT-CHAIN VARIABLE DOMAIN, RESIDUES 96-100, ASSEMBLED AS AN AMYLOID FIBRIL
Descriptor:YTFGQ segment Light-Chain Variable Domain Kappa AL09
Authors:Brumshtein, B., Esswein, S.R., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2018-05-24
Release date:2018-10-31
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis.
J. Biol. Chem., 293, 2018
6DJ0
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ASLTVS SEGMENT FROM HUMAN IMMUNOGLOBULIN LIGHT-CHAIN VARIABLE DOMAIN, RESIDUES 73-78, ASSEMBLED AS AN AMYLOID FIBRIL
Descriptor:ASLTVS segment from Light-Chain Variable Domain, Lambda Mcg
Authors:Brumshtein, B., Esswein, S.R., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2018-05-24
Release date:2018-10-31
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis.
J. Biol. Chem., 293, 2018
1UT6
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STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.4 ANGSTROMS RESOLUTION.
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE
Authors:Brumshtein, B., Wong, D.M., Greenblatt, H.M., Carlier, P.R., Pang, Y.-P., Silman, I., Sussman, J.L.
Deposit date:2003-12-04
Release date:2005-04-21
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
2CKM
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TORPEDO CALIFORNICA ACETYLCHOLINESTERASE COMPLEXED WITH ALKYLENE- LINKED BIS-TACRINE DIMER (7 CARBON LINKER)
Descriptor:ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE, N-ACETYL-D-GLUCOSAMINE
Authors:Brumshtein, B., Rydberg, E.H., Greenblatt, H.M., Wong, D.M., Shaya, D., Williams, L.D., Carlier, P.R., Pang, Y.P., Silman, I., Sussman, J.L.
Deposit date:2006-04-20
Release date:2006-09-04
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
2VT0
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X-RAY STRUCTURE OF A CONJUGATE WITH CONDURITOL-BETA-EPOXIDE OF ACID-BETA-GLUCOSIDASE OVEREXPRESSED IN CULTURED PLANT CELLS
Descriptor:GLUCOSYLCERAMIDASE, (1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Brumshtein, B., Greenblatt, H.M., Shaaltiel, Y., Aviezer, D., Silman, I., Futerman, A.H., Sussman, J.L.
Deposit date:2008-05-03
Release date:2008-09-23
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acid Beta-Glucosidase: Insights from Structural Analysis and Relevance to Gaucher Disease Therapy.
Biol.Chem., 389, 2008
1U65
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ACHE W. CPT-11
Descriptor:Acetylcholinesterase, BETA-L-FUCOSE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Harel, M., Hyatt, J.L., Brumshtein, B., Morton, C.L., Wadkins, R.W., Silman, I., Sussman, J.L., Potter, P.M., Israel Structural Proteomics Center (ISPC)
Deposit date:2004-07-29
Release date:2005-07-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:The crystal structure of the complex of the anticancer prodrug 7-ethyl-10-[4-(1-piperidino)-1-piperidino]-carbonyloxycamptothecin (CPT-11) with Torpedo californica acetylcholinesterase provides a molecular explanation for its cholinergic action
Mol.Pharmacol., 67, 2005
1V04
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SERUM PARAOXONASE BY DIRECTED EVOLUTION
Descriptor:SERUM PARAOXONASE/ARYLESTERASE 1, CALCIUM ION, PHOSPHATE ION
Authors:Harel, M., Aharoni, A., Gaidukov, L., Brumshtein, B., Khersonsky, O., Yagur, S., Meged, R., Dvir, H., Ravelli, R.B.G., McCarthy, A., Toker, L., Silman, I., Sussman, J.L., Tawfik, D.S.
Deposit date:2004-03-22
Release date:2004-04-23
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Evolution of the Serum Paraoxonase Family of Detoxifying and Anti-Atherosclerotic Enzymes
Nat.Struct.Mol.Biol., 11, 2004
2CMF
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TORPEDO CALIFORNICA ACETYLCHOLINESTERASE COMPLEXED WITH ALKYLENE- LINKED BIS-TACRINE DIMER (5 CARBON LINKER)
Descriptor:ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE, N-ACETYL-D-GLUCOSAMINE
Authors:Rydberg, E.H., Brumshtein, B., Greenblatt, H.M., Wong, D.M., Pang, Y.P., Silman, I., Sussman, J.L.
Deposit date:2006-05-08
Release date:2006-09-04
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
3LS7
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CRYSTAL STRUCTURE OF THERMOLYSIN IN COMPLEX WITH XENON
Descriptor:Thermolysin, XENON, CALCIUM ION, ...
Authors:Behnen, J., Klebe, G., Heine, A., Brumshtein, B.
Deposit date:2010-02-12
Release date:2011-02-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Old acquantance rediscovered, use of xenon/protein complexes as a generic tool for SAD phasing of in house data
To be Published
3M3D
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CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE IN COMPLEX WITH XENON
Descriptor:Acetylcholinesterase, XENON, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Behnen, J., Brumshtein, B., Toker, L., Silman, I., Sussman, J.L., Klebe, G., Heine, A.
Deposit date:2010-03-09
Release date:2011-03-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Old acquantance rediscover; use of xenon/protein complexes as a generic tool for SAD phasing of inhouse data
To be Published
1ODC
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STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE
Authors:Wong, D.M., Greenblatt, H.M., Carlier, P.R., Han, Y.-F., Pang, Y.-P., Silman, I., Sussman, J.L.
Deposit date:2003-02-15
Release date:2005-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
3LZY
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CRYSTAL STRUCTURE OF ENDOTHIAPESIN IN COMPLEX WITH XENON
Descriptor:Endothiapepsin, XENON, GLYCEROL
Authors:Behnen, J., Krueger, H., Klebe, G., Heine, A.
Deposit date:2010-03-02
Release date:2011-05-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Old acquantance rediscover: use of xenon/protein complexes as a generic tool for SAD phasing of inhouse data
To be Published