Author results

1RYI
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STRUCTURE OF GLYCINE OXIDASE WITH BOUND INHIBITOR GLYCOLATE
Descriptor:GLYCINE OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCOLIC ACID
Authors:Moertl, M., Diederichs, K., Welte, W., Pollegioni, L., Molla, G., Motteran, L., Andriolo, G., Pilone, M.S.
Deposit date:2003-12-22
Release date:2005-02-22
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function correlation in glycine oxidase from Bacillus subtilis
J.Biol.Chem., 279, 2004
3V3K
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HUMAN CASPASE 9 IN COMPLEX WITH BACTERIAL EFFECTOR PROTEIN
Descriptor:Caspase-9, Putative uncharacterized protein ECs1815
Authors:Moertl, M., Maskos, K., Steuber, H.
Deposit date:2011-12-13
Release date:2013-03-06
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.494 Å)
Cite:Human caspase 9 in complex with bacterial effector protein
Plos One, 2013
5T8F
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P110DELTA/P85ALPHA WITH TASELISIB (GDC-0032)
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide
Authors:Moertl, M., Steinbacher, S., Eigenbrot, C.
Deposit date:2016-09-07
Release date:2017-01-11
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
2OM5
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N-TERMINAL FRAGMENT OF HUMAN TAX1
Descriptor:Contactin 2
Authors:Moertl, M., Sonderegger, P., Diederichs, K., Welte, W.
Deposit date:2007-01-20
Release date:2007-11-20
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:The crystal structure of the ligand-binding module of human TAG-1 suggests a new mode of homophilic interaction
Protein Sci., 16, 2007
4H58
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BRAF IN COMPLEX WITH COMPOUND 3
Descriptor:Serine/threonine-protein kinase B-raf, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, CHLORIDE ION
Authors:Vasbinder, M., Aquila, B., Augustin, M., Chueng, T., Cook, D., Drew, L., Fauber, B., Glossop, S., Godin, R., Grondine, M., Hennessy, E., Johannes, J., Lee, S., Lyne, P., Moertl, M., Omer, C., Palakurthi, S., Pontz, T., Read, J., Sha, L., Shen, M., Steinbacher, S., Wang, H., Wu, A., Ye, M., Bagal, B.
Deposit date:2012-09-18
Release date:2013-02-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
4L3P
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CRYSTAL STRUCTURE OF 2-(1-BENZOTHIOPHEN-7-YL)-4-[1-(PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL]FURO[2,3-C]PYRIDIN-7-AMINE BOUND TO TAK1-TAB1
Descriptor:Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine
Authors:Wang, J., Hornberger, K.R., Crew, A.P., Steinbacher, S., Maskos, K., Moertl, M.
Deposit date:2013-06-06
Release date:2013-06-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
4L52
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CRYSTAL STRUCTURE OF 1-(4-{4-[7-AMINO-2-(1,2,3-BENZOTHIADIAZOL-7-YL)FURO[2,3-C]PYRIDIN-4-YL]-1H-PYRAZOL-1-YL}PIPERIDIN-1-YL)ETHAN-1-ONE BOUND TO TAK1-TAB1
Descriptor:Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone
Authors:Wang, J., Hornberger, K.R., Crew, A.P., Jestel, A., Maskos, K., Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
4L53
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CRYSTAL STRUCTURE OF (1R,4R)-4-{4-[7-AMINO-2-(1,2,3-BENZOTHIADIAZOL-7-YL)-3-CHLOROFURO[2,3-C]PYRIDIN-4-YL]-1H-PYRAZOL-1-YL}CYCLOHEXAN-1-OL BOUND TO TAK1-TAB1
Descriptor:Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol, ...
Authors:Wang, J., Hornberger, K.R., Crew, A.P., Jestel, A., Maskos, K., Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
3AOX
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X-RAY CRYSTAL STRUCTURE OF HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH CH5424802
Descriptor:ALK tyrosine kinase receptor, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, 1,2-ETHANEDIOL
Authors:Nagel, S., Moertl, M., Jestel, A., Fukami, T.A.
Deposit date:2010-10-08
Release date:2011-05-25
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant
Cancer Cell, 19, 2011