Author results

3DDT
  • Download 3ddt
  • View 3ddt
Molmil generated image of 3ddt
CRYSTAL STRUCTURE OF THE B2 BOX FROM MURF1 IN DIMERIC STATE
Descriptor:E3 ubiquitin-protein ligase TRIM63, ZINC ION
Authors:Mayans, O., Mrosek, M.
Deposit date:2008-06-06
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of B-Box 2 from MuRF1: identification of a novel self-association pattern in a RING-like fold
Biochemistry, 47, 2008
5LVX
  • Download 5lvx
  • View 5lvx
Molmil generated image of 5lvx
CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE WITH AN INHIBITORY QUINAZOLINE MODULATOR
Descriptor:Glucosylceramidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Zheng, J., Chen, L., Skinner, O.S., Lansbury, P., Skerlj, R., Mrosek, M., Heunisch, U., Krapp, S., Weigand, S., Charrow, J., Schwake, M., Kelleher, N.L., Silverman, R.B., Krainc, D.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
6GK7
  • Download 6gk7
  • View 6gk7
Molmil generated image of 6gk7
CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY DMCBTAU-27.1, DOUBLE MUTANT (S31Y, T100I) OF CBTAU-27.1, IN COMPLEX WITH TAU PEPTIDE A8119B (RESIDUES 299-318)
Descriptor:HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-27.1(S31Y,T100I), HUMAN TAU PEPTIDE A8119 RESIDUES 299-318, CHLORIDE ION
Authors:Steinbacher, S., Mrosek, M., Juraszek, J.
Deposit date:2018-05-18
Release date:2018-06-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6GK8
  • Download 6gk8
  • View 6gk8
Molmil generated image of 6gk8
CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY DMCBTAU-28.1, DOUBLE MUTANT (S32R, E35K) OF CBTAU-28.1, IN COMPLEX WITH TAU PEPTIDE A7731 (RESIDUES 52-71)
Descriptor:HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-28.1(S32R;E35K), TAU PEPTIDE A7731 (RESIDUES 52-71), CHLORIDE ION
Authors:Steinbacher, S., Mrosek, M., Juraszek, J.
Deposit date:2018-05-18
Release date:2018-06-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
2NZI
  • Download 2nzi
  • View 2nzi
Molmil generated image of 2nzi
CRYSTAL STRUCTURE OF DOMAINS A168-A170 FROM TITIN
Descriptor:Titin
Authors:Mrosek, M.C., Labeit, D., Labeit, S., Mayans, O.
Deposit date:2006-11-23
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular determinants for the recruitment of the ubiquitin-ligase MuRF-1 onto M-line titin.
Faseb J., 21, 2007
4AJ1
  • Download 4aj1
  • View 4aj1
Molmil generated image of 4aj1
RAT LDHA IN COMPLEX WITH N-(2-(METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL) ACETAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, N-(2-METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL)ACETAMIDE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJ2
  • Download 4aj2
  • View 4aj2
Molmil generated image of 4aj2
RAT LDHA IN COMPLEX WITH 5-(2-CHLOROPHENYL)-1H-TETRAZOLE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Frazer, M.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJ4
  • Download 4aj4
  • View 4aj4
Molmil generated image of 4aj4
RAT LDHA IN COMPLEX WITH 4-((2-ALLYLSULFANYL-1,3-BENZOTHIZOL-6-YL) AMINO)-4-OXO-BUTANOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJE
  • Download 4aje
  • View 4aje
Molmil generated image of 4aje
RAT LDHA IN COMPLEX WITH 2-(4-BROMOPHENOXY)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, MALONATE ION, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJH
  • Download 4ajh
  • View 4ajh
Molmil generated image of 4ajh
RAT LDHA IN COMPLEX WITH N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO- PROPANAMIDE AND 2-(4-BROMOPHENOXY)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Greenwood, R., Pearson, S., Debreczeni, J.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJI
  • Download 4aji
  • View 4aji
Molmil generated image of 4aji
RAT LDHA IN COMPLEX WITH 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Debreczeni, J.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJJ
  • Download 4ajj
  • View 4ajj
Molmil generated image of 4ajj
RAT LDHA IN COMPLEX WITH 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID AND N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE, MALONATE ION, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Patel, J., Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJK
  • Download 4ajk
  • View 4ajk
Molmil generated image of 4ajk
RAT LDHA IN COMPLEX WITH N-(2-(METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL) ACETAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE, MALONATE ION, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJL
  • Download 4ajl
  • View 4ajl
Molmil generated image of 4ajl
RAT LDHA IN COMPLEX WITH 3-(ETHYLCARBAMOYLAMINO)-N-(2-METHYL-1,3- BENZOTHIAZOL-6-YL)PROPANAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Addie, M., Ferguson, A.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJN
  • Download 4ajn
  • View 4ajn
Molmil generated image of 4ajn
RAT LDHA IN COMPLEX WITH 2-((4-(2-((3-((2-METHYL-1,3-BENZOTHIAZOL-6- YL)AMINO)-3-OXO-PROPYL)CARBAMOYLAMINO)ETHYL)PHENYL)METHYL) PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL
Authors:Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Caputo, A., Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJO
  • Download 4ajo
  • View 4ajo
Molmil generated image of 4ajo
RAT LDHA IN COMPLEX WITH 2-((4-(4-((3-((2-METHYL-1,3-BENZOTHIAZOL-6YL) AMINO)-3-OXO-PROPYL)AMINO)-4-OXO-BUTYL)PHENYL)METHYL)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Caputo, A., Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJP
  • Download 4ajp
  • View 4ajp
Molmil generated image of 4ajp
HUMAN LDHA IN COMPLEX WITH 2-((4-(4-((3-((2-METHYL-1,3-BENZOTHIAZOL- 6YL)AMINO)-3-OXO-PROPYL)AMINO)-4-OXO-BUTYL)PHENYL)METHYL)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID, SULFATE ION, ...
Authors:Tucker, J.A., Brassington, C., Caputo, A., Ward, R., Pearson, S., Watson, M., Tart, J., Davies, G.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2014-09-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AL4
  • Download 4al4
  • View 4al4
Molmil generated image of 4al4
RAT LDHA IN COMPLEX WITH 2-((4-(2-((3-((2-METHYL-1,3-BENZOTHIAZOL-6- YL)AMINO)3-OXO-PROPYL)CARBAMOYLAMINO)ETHOXY)PHENYL)METHYLPROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid
Authors:Tucker, J.A., Brassington, C., Hassall, G., Ward, R., Tart, J., Davies, G., Hohson, M., Pearson, S.
Deposit date:2012-03-01
Release date:2012-03-21
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
5ZV3
  • Download 5zv3
  • View 5zv3
Molmil generated image of 5zv3
CRYSTAL STRUCTURE OF HUMAN ANTI-TAU ANTIBODY CBTAU-28.1 IN COMPLEX WITH ITS TAU PEPTIDE
Descriptor:Peptide from Microtubule-associated protein tau, Heavy chain of antibody CBTAU28.1, Light chain (kappa) of antibody CBTAU28.1
Authors:Zhang, H., Wilson, I.A.
Deposit date:2018-05-09
Release date:2018-06-20
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6DCV
  • Download 6dcv
  • View 6dcv
Molmil generated image of 6dcv
CRYSTAL STRUCTURE OF HUMAN ANTI-TAU ANTIBODY CBTAU-27.1
Descriptor:Light chain of CBTAU27.1 Fab, heavy chain of CBTAU-27.1 Fab, GLYCEROL
Authors:Zhu, X., Zhang, H., Wilson, I.A.
Deposit date:2018-05-08
Release date:2018-06-06
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6DCW
  • Download 6dcw
  • View 6dcw
Molmil generated image of 6dcw
CRYSTAL STRUCTURE OF HUMAN ANTI-TAU ANTIBODY CBTAU-27.1 FAB IN COMPLEX WITH A HUMAN TAU PEPTIDE
Descriptor:Light chain of CBTAU27.1 Fab, Heavy chain of CBTAU27.1 Fab, tau peptide
Authors:Zhu, X., Zhang, H., Wilson, I.A.
Deposit date:2018-05-08
Release date:2018-06-06
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018