Author results

1JGD
  • Download 1jgd
  • View 1jgd
Molmil generated image of 1jgd
HLA-B*2709 BOUND TO DECA-PEPTIDE S10R
Descriptor:HUMAN LYMPHOCYTE ANTIGEN HLA-B27, BETA-2-MICROGLOBULIN, peptide s10R, ...
Authors:Hillig, R.C., Huelsmeyer, M., Saenger, W., Volz, A., Uchanska-Ziegler, B., Ziegler, A.
Deposit date:2001-06-25
Release date:2003-07-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thermodynamic and structural analysis of peptide- and allele-dependent properties of two HLA-B27 subtypes exhibiting differential disease association
J.Biol.Chem., 279, 2004
2CA6
  • Download 2ca6
  • View 2ca6
Molmil generated image of 2ca6
MIRAS STRUCTURE DETERMINATION FROM HEMIHEDRALLY TWINNED CRYSTALS
Descriptor:RAN GTPASE-ACTIVATING PROTEIN 1, SULFATE ION
Authors:Hillig, R.C., Renault, L.
Deposit date:2005-12-17
Release date:2006-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Detecting and Overcoming Hemihedral Twinning During the Mir Structure Determination of RNA1P.
Acta Crystallogr.,Sect.D, 62, 2006
2JB5
  • Download 2jb5
  • View 2jb5
Molmil generated image of 2jb5
FAB FRAGMENT IN COMPLEX WITH SMALL MOLECULE HAPTEN, CRYSTAL FORM-1
Descriptor:FAB FRAGMENT MOR03268 HEAVY CHAIN, FAB FRAGMENT MOR03268 LIGHT CHAIN, 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM
Authors:Hillig, R.C., Baesler, S., Malawski, G., Badock, V., Bahr, I., Schirner, M., Licha, K.
Deposit date:2006-12-03
Release date:2008-01-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface
J.Mol.Biol., 377, 2008
2JB6
  • Download 2jb6
  • View 2jb6
Molmil generated image of 2jb6
FAB FRAGMENT IN COMPLEX WITH SMALL MOLECULE HAPTEN, CRYSTAL FORM-2
Descriptor:FAB FRAGMENT MOR03268 LIGHT CHAIN, FAB FRAGMENT MOR03268 HEAVY CHAIN, 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM
Authors:Hillig, R.C., Baesler, S., Malawski, G., Badock, V., Bahr, I., Schirner, M., Licha, K.
Deposit date:2006-12-03
Release date:2008-01-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface
J.Mol.Biol., 377, 2008
2JBO
  • Download 2jbo
  • View 2jbo
Molmil generated image of 2jbo
PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-1, SOAKING)
Descriptor:MAP KINASE-ACTIVATED PROTEIN KINASE 2, PHOSPHATE ION, 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Hillig, R.C., Eberspaecher, U., Monteclaro, F., Huber, M., Nguyen, D., Mengel, A., Muller-Tiemann, B., Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for a High Affinity Inhibitor Bound to Protein Kinase Mk2.
J.Mol.Biol., 369, 2007
2JBP
  • Download 2jbp
  • View 2jbp
Molmil generated image of 2jbp
PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-2, CO- CRYSTALLIZATION)
Descriptor:MAP KINASE-ACTIVATED PROTEIN KINASE 2, 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Hillig, R.C., Eberspaecher, U., Monteclaro, F., Huber, M., Nguyen, D., Mengel, A., Muller-Tiemann, B., Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structural basis for a high affinity inhibitor bound to protein kinase MK2.
J. Mol. Biol., 369, 2007
1FZQ
  • Download 1fzq
  • View 1fzq
Molmil generated image of 1fzq
CRYSTAL STRUCTURE OF MURINE ARL3-GDP
Descriptor:ADP-RIBOSYLATION FACTOR-LIKE PROTEIN 3, SULFATE ION, AMMONIUM ION, ...
Authors:Hillig, R.C., Hanzal-Bayer, M., Linari, M., Becker, J., Wittinghofer, A., Renault, L.
Deposit date:2000-10-04
Release date:2000-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical properties show ARL3-GDP as a distinct GTP binding protein.
Structure Fold.Des., 8, 2000
1I4F
  • Download 1i4f
  • View 1i4f
Molmil generated image of 1i4f
CRYSTAL STRUCTURE OF HLA-A*0201/MAGE-A4-PEPTIDE COMPLEX
Descriptor:HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, BETA-2-MICROGLOBULIN, ...
Authors:Hillig, R.C., Coulie, P.G., Stroobant, V., Saenger, W., Ziegler, A., Huelsmeyer, M.
Deposit date:2001-02-21
Release date:2001-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution structure of HLA-A*0201 in complex with a tumour-specific antigenic peptide encoded by the MAGE-A4 gene.
J.Mol.Biol., 310, 2001
1YRG
  • Download 1yrg
  • View 1yrg
Molmil generated image of 1yrg
THE CRYSTAL STRUCTURE OF RNA1P: A NEW FOLD FOR A GTPASE-ACTIVATING PROTEIN
Descriptor:GTPASE-ACTIVATING PROTEIN RNA1_SCHPO
Authors:Hillig, R.C., Renault, L., Vetter, I.R., Drell, T., Wittinghofer, A., Becker, J.
Deposit date:1999-03-29
Release date:2000-03-29
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:The crystal structure of rna1p: a new fold for a GTPase-activating protein.
Mol.Cell, 3, 1999
2UZQ
  • Download 2uzq
  • View 2uzq
Molmil generated image of 2uzq
PROTEIN PHOSPHATASE, NEW CRYSTAL FORM
Descriptor:M-PHASE INDUCER PHOSPHATASE 2, PHOSPHATE ION
Authors:Hillig, R.C., Eberspaecher, U.
Deposit date:2007-05-01
Release date:2008-06-24
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:New Crystal Form of Protein Phosphatase Cdc25B Triggered by Guanidinium Chloride as an Additive
To be Published
5OVD
  • Download 5ovd
  • View 5ovd
Molmil generated image of 5ovd
RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR SOS1 (REM-CDC25) IN NEW CRYSTAL FORM
Descriptor:Son of sevenless homolog 1, 1,2-ETHANEDIOL
Authors:Hillig, R.C., Moosmayer, D., Hilpmann, A., Bader, B., Schroeder, J., Wortmann, L., Sautier, B., Kahmann, J., Wegener, D., Briem, H., Petersen, K., Badock, V.
Deposit date:2017-08-28
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
5OVE
  • Download 5ove
  • View 5ove
Molmil generated image of 5ove
RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH SMALL MOLECULE INHIBITOR COMPOUND 1
Descriptor:Son of sevenless homolog 1, 1,2-ETHANEDIOL, 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine
Authors:Hillig, R.C., Sautier, B., Schroeder, J., Moosmayer, D., Hilpmann, A., Stegmann, C.M., Briem, H., Boemer, U., Weiske, J., Badock, V., Petersen, K., Kahmann, J., Wegener, D., Bohnke, N., Eis, K., Graham, K., Wortmann, L., von Nussbaum, F., Bader, B.
Deposit date:2017-08-28
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
5OVF
  • Download 5ovf
  • View 5ovf
Molmil generated image of 5ovf
RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH SMALL MOLECULE INHIBITOR COMPOUND 17
Descriptor:Son of sevenless homolog 1, 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine, 1,2-ETHANEDIOL
Authors:Hillig, R.C., Sautier, B., Schroeder, J., Moosmayer, D., Hilpmann, A., Stegmann, C.M., Briem, H., Boemer, U., Weiske, J., Badock, V., Petersen, K., Kahmann, J., Wegener, D., Bohnke, N., Eis, K., Graham, K., Wortmann, L., von Nussbaum, F., Bader, B.
Deposit date:2017-08-28
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
5OVG
  • Download 5ovg
  • View 5ovg
Molmil generated image of 5ovg
RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH SMALL MOLECULE INHIBITOR COMPOUND 18
Descriptor:Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine, 1,2-ETHANEDIOL
Authors:Hillig, R.C., Sautier, B., Schroeder, J., Moosmayer, D., Hilpmann, A., Stegmann, C.M., Briem, H., Boemer, U., Weiske, J., Badock, V., Petersen, K., Kahmann, J., Wegener, D., Bohnke, N., Eis, K., Graham, K., Wortmann, L., von Nussbaum, F., Bader, B.
Deposit date:2017-08-28
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
5OVH
  • Download 5ovh
  • View 5ovh
Molmil generated image of 5ovh
RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH SMALL MOLECULE INHIBITOR COMPOUND 21
Descriptor:Son of sevenless homolog 1, [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol, 1,2-ETHANEDIOL
Authors:Hillig, R.C., Sautier, B., Schroeder, J., Moosmayer, D., Hilpmann, A., Stegmann, C.M., Briem, H., Boemer, U., Weiske, J., Badock, V., Petersen, K., Kahmann, J., Wegener, D., Bohnke, N., Eis, K., Graham, K., Wortmann, L., von Nussbaum, F., Bader, B.
Deposit date:2017-08-28
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
5OVI
  • Download 5ovi
  • View 5ovi
Molmil generated image of 5ovi
RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH SMALL MOLECULE INHIBITOR BAY-293 (COMPOUND 23)
Descriptor:Son of sevenless homolog 1, 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine, 1,2-ETHANEDIOL
Authors:Hillig, R.C., Sautier, B., Schroeder, J., Moosmayer, D., Hilpmann, A., Stegmann, C.M., Briem, H., Boemer, U., Weiske, J., Badock, V., Petersen, K., Kahmann, J., Wegener, D., Bohnke, N., Eis, K., Graham, K., Wortmann, L., von Nussbaum, F., Bader, B.
Deposit date:2017-08-28
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
6EIE
  • Download 6eie
  • View 6eie
Molmil generated image of 6eie
RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR SOS2 (REM-CDC25), WITH SURFACE MUTATIONS
Descriptor:Son of sevenless homolog 2
Authors:Hillig, R.C., Moosmayer, D., Mastouri, J.
Deposit date:2017-09-19
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
6EPL
  • Download 6epl
  • View 6epl
Molmil generated image of 6epl
RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C)
Descriptor:GTPase KRas, Son of sevenless homolog 1, GLYCEROL
Authors:Hillig, R.C., Moosmayer, D., Hilpmann, A., Bader, B., Schroeder, J., Wortmann, L., Sautier, B., Briem, H., Petersen, K., Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
6EPM
  • Download 6epm
  • View 6epm
Molmil generated image of 6epm
RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F1
Descriptor:GTPase KRas, Son of sevenless homolog 1, GLYCEROL, ...
Authors:Hillig, R.C., Moosmayer, D., Hilpmann, A., Bader, B., Schroeder, J., Wortmann, L., Sautier, B., Kahmann, J., Wegener, D., Briem, H., Petersen, K., Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
6EPN
  • Download 6epn
  • View 6epn
Molmil generated image of 6epn
RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F2
Descriptor:GTPase KRas, Son of sevenless homolog 1, GLYCEROL, ...
Authors:Hillig, R.C., Moosmayer, D., Hilpmann, A., Bader, B., Schroeder, J., Wortmann, L., Sautier, B., Kahmann, J., Wegener, D., Briem, H., Petersen, K., Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
6EPO
  • Download 6epo
  • View 6epo
Molmil generated image of 6epo
RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3
Descriptor:GTPase KRas, Son of sevenless homolog 1, GLYCEROL, ...
Authors:Hillig, R.C., Moosmayer, D., Hilpmann, A., Bader, B., Schroeder, J., Wortmann, L., Sautier, B., Kahmann, J., Wegener, D., Briem, H., Petersen, K., Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
6EPP
  • Download 6epp
  • View 6epp
Molmil generated image of 6epp
RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4
Descriptor:GTPase KRas, Son of sevenless homolog 1, GLYCEROL, ...
Authors:Hillig, R.C., Moosmayer, D., Hilpmann, A., Bader, B., Schroeder, J., Wortmann, L., Sautier, B., Kahmann, J., Wegener, D., Briem, H., Petersen, K., Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 2019
5ARF
  • Download 5arf
  • View 5arf
Molmil generated image of 5arf
SMYD2 IN COMPLEX WITH SMALL MOLECULE INHIBITOR COMPOUND-2
Descriptor:N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ...
Authors:Hillig, R.C., Badock, V., Barak, N., Stellfeld, T., Eggert, E., ter Laak, A., Weiske, J., Christ, C.D., Koehr, S., Stoeckigt, D., Mowat, J., Mueller, T., Fernandez-Montalvan, A.E., Hartung, I.V., Stresemann, C., Brumby, T., Weinmann, H.
Deposit date:2015-09-24
Release date:2016-04-27
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
5ARG
  • Download 5arg
  • View 5arg
Molmil generated image of 5arg
SMYD2 IN COMPLEX WITH SGC PROBE BAY-598
Descriptor:N-LYSINE METHYLTRANSFERASE SMYD2, ZINC ION, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ...
Authors:Hillig, R.C., Badock, V., Barak, N., Stellfeld, T., Eggert, E., ter Laak, A., Weiske, J., Christ, C.D., Koehr, S., Stoeckigt, D., Mowat, J., Mueller, T., Fernandez-Montalvan, A.E., Hartung, I.V., Stresemann, C., Brumby, T., Weinmann, H.
Deposit date:2015-09-24
Release date:2016-04-27
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
5LGE
  • Download 5lge
  • View 5lge
Molmil generated image of 5lge
CRYSTAL STRUCTURE OF HUMAN IDH1 MUTANT (R132H) IN COMPLEX WITH NADP+ AND AN INHIBITOR RELATED TO BAY 1436032
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1,2-ETHANEDIOL, ...
Authors:Hillig, R.C., Hars, U., Korndoerfer, I.P.
Deposit date:2016-07-07
Release date:2017-02-08
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo.
Acta Neuropathol., 133, 2017
<12>
PDBj@FacebookPDBj@TwitterwwPDBwwPDB Foundation

Copyright © 2013-2019 Protein Data Bank Japan