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3D4Q
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PYRAZOLE-BASED INHIBITORS OF B-RAF KINASE
Descriptor:B-Raf proto-oncogene serine/threonine-protein kinase, (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
Authors:Morales, T., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2008-05-14
Release date:2008-08-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective pyrazole-based inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 18, 2008
3PSB
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FURO[2,3-C]PYRIDINE-BASED INDANONE OXIMES AS POTENT AND SELECTIVE B-RAF INHIBITORS
Descriptor:B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate
Authors:Morales, T., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2010-12-01
Release date:2011-01-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3PSD
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NON-OXIME PYRAZOLE BASED INHIBITORS OF B-RAF KINASE
Descriptor:B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, 6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole
Authors:Morales, T., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2010-12-01
Release date:2011-05-18
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Non-oxime pyrazole based inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3OMV
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CRYSTAL STRUCTURE OF C-RAF (RAF-1)
Descriptor:RAF proto-oncogene serine/threonine-protein kinase, (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
Authors:Hatzivassiliou, G., Song, K., Yen, I., Brandhuber, B.J., Anderson, D.J., Alvarado, R., Ludlam, M.J., Stokoe, D., Gloor, S.L., Vigers, G.P.A., Morales, T., Aliagas, I., Liu, B., Sideris, S., Hoeflich, K.P., Jaiswal, B.S., Seshagiri, S., Koeppen, H., Belvin, M., Friedman, L.S., Malek, S.
Deposit date:2010-08-27
Release date:2010-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:RAF inhibitors prime wild-type RAF to activate the MAPK pathway and enhance growth.
Nature, 464, 2010
3PPJ
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HUMAN B-RAF KINASE IN COMPLEX WITH A FUROPYRIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate
Authors:Voegtli, W.C., Vigers, G.P.A., Morales, T., Brandhuber, B.J.
Deposit date:2010-11-24
Release date:2011-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PPK
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HUMAN B-RAF KINASE IN COMPLEX WITH A NON-OXIME FUROPYRIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide
Authors:Voegtli, W.C., Vigers, G.P.A., Morales, T., Brandhuber, B.J.
Deposit date:2010-11-24
Release date:2011-02-02
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PRF
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CRYSTAL STRUCTURE OF HUMAN B-RAF KINASE DOMAIN IN COMPLEX WITH A NON-OXIME FUROPYRIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol
Authors:Voegtli, W.C., Vigers, G.P.A., Morales, T., Brandhuber, B.J.
Deposit date:2010-11-29
Release date:2011-02-02
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PRI
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CRYSTAL STRUCTURE OF HUMAN B-RAF KINASE IN COMPLEX WITH A NON-OXIME FUROPYRIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol
Authors:Voegtli, W.C., Vigers, G.P.A., Morales, T., Brandhuber, B.J.
Deposit date:2010-11-29
Release date:2011-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
4MNE
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CRYSTAL STRUCTURE OF THE BRAF:MEK1 COMPLEX
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, Serine/threonine-protein kinase B-raf, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Sudhamsu, J., Haling, J.R., Morales, T., Brandhuber, B., Hymowitz, S.G.
Deposit date:2013-09-10
Release date:2014-06-18
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.8483 Å)
Cite:Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
4MNF
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CRYSTAL STRUCTURE OF BRAF-V600E BOUND TO GDC0879
Descriptor:Serine/threonine-protein kinase B-raf, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION
Authors:Sudhamsu, J., Haling, J.R., Morales, T., Brandhuber, B., Hymowitz, S.G.
Deposit date:2013-09-10
Release date:2014-06-18
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
3QKK
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SPIROCHROMANE AKT INHIBITORS
Descriptor:RAC-alpha serine/threonine-protein kinase, GSK-3 beta peptide, N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide
Authors:Kallan, N.C., Spencer, K.L., Blake, J.F., Xu, R., Heizer, J., Bencsik, J.R., Mitchell, I.S., Gloor, S.L., Martinson, M., Risom, T., Gross, S.D., Morales, T., Vigers, G.P.A., Brandhuber, B.J., Skelton, N.J.
Deposit date:2011-02-01
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and SAR of spirochromane Akt inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3QKL
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SPIROCHROMANE AKT INHIBITORS
Descriptor:RAC-alpha serine/threonine-protein kinase, GSK-3 beta peptide, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
Authors:Kallan, N.C., Spencer, K.L., Blake, J.F., Xu, R., Heizer, J., Bencsik, J.R., Mitchell, I.S., Gloor, S.L., Martinson, M., Risom, T., Gross, S.D., Morales, T., Vigers, G.P.A., Brandhuber, B.J., Skelton, N.J.
Deposit date:2011-02-01
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and SAR of spirochromane Akt inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3QKM
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SPIROCYCLIC SULFONAMIDES AS AKT INHIBITORS
Descriptor:RAC-alpha serine/threonine-protein kinase, N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
Authors:Xu, R., Banka, A., Blake, J.F., Mitchell, I.S., Wallace, E.M., Gloor, S.L., Martinson, M., Risom, T., Gross, S.D., Morales, T., Vigers, G.P.A., Brandhuber, B.J., Skelton, N.J.
Deposit date:2011-02-01
Release date:2011-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of spirocyclic sulfonamides as potent Akt inhibitors with exquisite selectivity against PKA.
Bioorg.Med.Chem.Lett., 21, 2011