Author results

1ILT
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X-RAY STRUCTURE OF INTERLEUKIN-1 RECEPTOR ANTAGONIST AT 2.0 ANGSTROMS RESOLUTION
Descriptor:INTERLEUKIN-1 RECEPTOR ANTAGONIST
Authors:Brandhuber, B.J., Vigers, G.P.A.
Deposit date:1994-03-09
Release date:1995-04-01
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of interleukin-1 receptor antagonist at 2.0-A resolution.
J.Biol.Chem., 269, 1994
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
1G0Y
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IL-1 RECEPTOR TYPE 1 COMPLEXED WITH ANTAGONIST PEPTIDE AF10847
Descriptor:INTERLEUKIN-1 RECEPTOR, TYPE I, ANTAGONIST PEPTIDE AF10847
Authors:Vigers, G.P.A., Dripps, D.J., Edwards, C.K., Brandhuber, B.J.
Deposit date:2000-10-09
Release date:2000-10-25
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray crystal structure of a small antagonist peptide bound to interleukin-1 receptor type 1.
J.Biol.Chem., 275, 2000
1ITB
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TYPE-1 INTERLEUKIN-1 RECEPTOR COMPLEXED WITH INTERLEUKIN-1 BETA
Descriptor:INTERLEUKIN-1 BETA, TYPE 1 INTERLEUKIN-1 RECEPTOR
Authors:Vigers, G.P.A., Anderson, L.J., Caffes, P., Brandhuber, B.J.
Deposit date:1997-01-15
Release date:1998-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the type-I interleukin-1 receptor complexed with interleukin-1beta.
Nature, 386, 1997
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
3INK
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UNRAVELING THE STRUCTURE OF INTERLEUKIN-2: REPLY
Descriptor:INTERLEUKIN-2
Authors:Mckay, D.B., Brandhuber, B.J.
Deposit date:1992-12-09
Release date:1993-10-31
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Response.
Science, 257, 1992
3O96
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CRYSTAL STRUCTURE OF HUMAN AKT1 WITH AN ALLOSTERIC INHIBITOR
Descriptor:RAC-alpha serine/threonine-protein kinase, 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
Authors:Voegtli, W.C., Wu, W.-I., Lord-Ondash, H.A., Dizon, F.P., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2010-08-03
Release date:2010-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
3OCB
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AKT1 KINASE DOMAIN WITH PYRROLOPYRIMIDINE INHIBITOR
Descriptor:v-akt murine thymoma viral oncogene homolog 1 (AKT1), GSK 3 beta peptide, (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
Authors:Morales, T.H., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2010-08-09
Release date:2010-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of pyrrolopyrimidine inhibitors of Akt.
Bioorg.Med.Chem.Lett., 20, 2010
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
3OW3
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DISCOVERY OF DIHYDROTHIENO- AND DIHYDROFUROPYRIMIDINES AS POTENT PAN AKT INHIBITORS
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine
Authors:Dizon, F., Wu, W., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2010-09-17
Release date:2010-11-10
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OW4
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DISCOVERY OF DIHYDROTHIENO- AND DIHYDROFUROPYRIMIDINES AS POTENT PAN AKT INHIBITORS
Descriptor:RAC-alpha serine/threonine-protein kinase, GSK 3 beta peptide, (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine
Authors:Dizon, F., Wu, W., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2010-09-17
Release date:2010-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 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:2011-07-13
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:2011-07-13
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
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
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
4EKK
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AKT1 WITH AMP-PNP
Descriptor:RAC-alpha serine/threonine-protein kinase, Glycogen synthase kinase-3 beta, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wu, W.-I., Vigers, G.P.A., Morales, T.H., Brandhuber, B.J.
Deposit date:2012-04-09
Release date:2012-05-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An ATP-Site On-Off Switch That Restricts Phosphatase Accessibility of Akt.
Sci.Signal., 5, 2012
4EKL
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AKT1 WITH GDC0068
Descriptor:RAC-alpha serine/threonine-protein kinase, (2S)-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one
Authors:Wu, W.-I., Vigers, G.P.A., Morales, T.H., Brandhuber, B.J.
Deposit date:2012-04-09
Release date:2012-05-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:An ATP-Site On-Off Switch That Restricts Phosphatase Accessibility of Akt.
Sci.Signal., 5, 2012
4KTC
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NS3/NS4A PROTEASE WITH INHIBITOR
Descriptor:Serine protease NS3, NS4A peptide, ZINC ION, ...
Authors:Zhang, H., Ballard, J., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2013-05-20
Release date:2013-08-07
Last modified:2014-03-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
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
1NCF
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A NEW PARADIGM FOR TUMOR NECROSIS FACTOR SIGNALLING
Descriptor:TUMOR NECROSIS FACTOR RECEPTOR
Authors:Naismith, J.H., Sprang, S.R.
Deposit date:1994-10-12
Release date:1995-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic evidence for dimerization of unliganded tumor necrosis factor receptor.
J.Biol.Chem., 270, 1995
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