Author results

2YAK
  • Download 2yak
  • View 2yak
Molmil generated image of 2yak
STRUCTURE OF DEATH-ASSOCIATED PROTEIN KINASE 1 (DAPK1) IN COMPLEX WITH A RUTHENIUM OCTASPORINE LIGAND (OSV)
Descriptor:DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4
Authors:Feng, L., Geisselbrecht, Y., Blanck, S., Wilbuer, A., Atilla-Gokcumen, G.E., Filippakopoulos, P., Kraeling, K., Celik, M.A., Harms, K., Maksimoska, J., Marmorstein, R., Frenking, G., Knapp, S., Essen, L.-O., Meggers, E.
Deposit date:2011-02-23
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
4AS0
  • Download 4as0
  • View 4as0
Molmil generated image of 4as0
CYCLOMETALATED PHTHALIMIDES AS PROTEIN KINASE INHIBITORS
Descriptor:SERINE/THREONINE-PROTEIN KINASE PIM-1, PHTALIMIDE-RUTHENIUM COMPLEX
Authors:Blanck, S., Geisselbrecht, Y., Middel, S., Mietke, T., Harms, K., Essen, L.-O., Meggers, E.
Deposit date:2012-04-27
Release date:2012-10-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bioactive Cyclometalated Phthalimides: Design, Synthesis and Kinase Inhibition.
Dalton Trans, 41, 2012
4NAG
  • Download 4nag
  • View 4nag
Molmil generated image of 4nag
XANTHOMONINS I III ARE A NEW CLASS OF LASSO PEPTIDES FEATURINGA SEVEN-MEMBERED MACROLACTAM RING
Descriptor:Xanthomonin I, HEXANE-1,6-DIOL
Authors:Hegemann, J.D., Zimmermann, M., Zhu, S., Steuber, H., Harms, K., Xie, X., Marahiel, M.A.
Deposit date:2013-10-22
Release date:2014-04-30
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Xanthomonins I-III: A New Class of Lasso Peptides with a Seven-Residue Macrolactam Ring.
Angew.Chem.Int.Ed.Engl., 53, 2014
5D9E
  • Download 5d9e
  • View 5d9e
Molmil generated image of 5d9e
CRYSTAL STRUCTURE OF THE PROLINE-RICH LASSO PEPTIDE CAULOSEGNIN II
Descriptor:Caulosegnin II, CHLORIDE ION
Authors:Fage, C.D., Hegemann, J.D., Harms, K., Marahiel, M.A.
Deposit date:2015-08-18
Release date:2016-02-17
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (0.859 Å)
Cite:The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II.
Mol Biosyst, 12, 2016
5JQF
  • Download 5jqf
  • View 5jqf
Molmil generated image of 5jqf
CRYSTAL STRUCTURE OF THE LASSO PEPTIDE SPHINGOPYXIN I (SPI)
Descriptor:Sphingopyxin I
Authors:Fage, C.D., Hegemann, J.D., Harms, K., Bange, G., Marahiel, M.A.
Deposit date:2016-05-04
Release date:2016-09-14
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew. Chem. Int. Ed. Engl., 55, 2016
2MFV
  • Download 2mfv
  • View 2mfv
Molmil generated image of 2mfv
STRUCTURE OF LASSO PEPTIDE XANTHOMONIN II
Descriptor:Xanthomonin II
Authors:Hegemann, J.D., Zimmermann, M., Harms, K., Xie, X., Marahiel, M.A.
Deposit date:2013-10-23
Release date:2014-10-29
Method:SOLUTION NMR
Cite:Xanthomonin I-III are Lasso Peptides Featuring Macrolactam Rings Consisting of Only Seven Amino Acids
To be Published
3PUP
  • Download 3pup
  • View 3pup
Molmil generated image of 3pup
STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA (GSK3B) IN COMPLEX WITH A RUTHENIUM OCTASPORINE LIGAND (OS1)
Descriptor:Glycogen synthase kinase-3 beta, Ruthenium octasporine
Authors:Filippakopoulos, P., Kraling, K., Essen, L.O., Meggers, E., Knapp, S.
Deposit date:2010-12-06
Release date:2010-12-22
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
3FXZ
  • Download 3fxz
  • View 3fxz
Molmil generated image of 3fxz
CRYSTAL STRUCTURE OF PAK1 KINASE DOMAIN WITH RUTHENIUM COMPLEX LAMBDA-FL172
Descriptor:Serine/threonine-protein kinase PAK 1, OCTAHEDRAL RU-PYRIDOCARBAZOLE
Authors:Maksimoska, J., Marmorstein, R., Meggers, E.
Deposit date:2009-01-21
Release date:2009-02-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
3FY0
  • Download 3fy0
  • View 3fy0
Molmil generated image of 3fy0
CRYSTAL STRUCTURE OF PAK1 KINASE DOMAIN WITH RUTHENIUM COMPLEX DW1
Descriptor:Serine/threonine-protein kinase PAK 1, Ruthenium pyridocarbazole
Authors:Maksimoska, J., Marmorstein, R., Meggers, E.
Deposit date:2009-01-21
Release date:2009-03-03
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
4DAW
  • Download 4daw
  • View 4daw
Molmil generated image of 4daw
CRYSTAL STRUCTURE OF PAK1 KINASE DOMAIN WITH THE RUTHENIUM PHTHALIMIDE COMPLEX
Descriptor:Serine/threonine-protein kinase PAK 1, [1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium
Authors:Maksimoska, J., Marmorstein, R.
Deposit date:2012-01-13
Release date:2012-03-14
Last modified:2012-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The art of filling protein pockets efficiently with octahedral metal complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
5JRK
  • Download 5jrk
  • View 5jrk
Molmil generated image of 5jrk
CRYSTAL STRUCTURE OF THE SPHINGOPYXIN I LASSO PEPTIDE ISOPEPTIDASE SPI-ISOP (SEMET-DERIVED)
Descriptor:Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein, BETA-D-GLUCOSE
Authors:Fage, C.D., Hegemann, J.D., Bange, G., Marahiel, M.A.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016
5JRL
  • Download 5jrl
  • View 5jrl
Molmil generated image of 5jrl
CRYSTAL STRUCTURE OF THE SPHINGOPYXIN I LASSO PEPTIDE ISOPEPTIDASE SPI-ISOP (NATIVE)
Descriptor:Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein
Authors:Fage, C.D., Hegemann, J.D., Bange, G., Marahiel, M.A.
Deposit date:2016-05-06
Release date:2016-09-14
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016