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1ILT
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BU of 1ilt by Molmil
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:2024-02-07
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
3INK
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BU of 3ink by Molmil
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
3D4Q
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BU of 3d4q by Molmil
Pyrazole-based inhibitors of B-Raf kinase
Descriptor: (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, B-Raf proto-oncogene serine/threonine-protein kinase
Authors:Morales, T, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2008-05-14
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective pyrazole-based inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 18, 2008
4KTC
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BU of 4ktc by Molmil
NS3/NS4A protease with inhibitor
Descriptor: (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ...
Authors:Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2013-05-20
Release date:2013-08-07
Last modified:2023-09-20
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
4EKL
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BU of 4ekl by Molmil
Akt1 with GDC0068
Descriptor: (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, RAC-alpha serine/threonine-protein kinase
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
4EKK
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BU of 4ekk by Molmil
Akt1 with AMP-PNP
Descriptor: Glycogen synthase kinase-3 beta, MANGANESE (II) ION, 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
1G0Y
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BU of 1g0y by Molmil
IL-1 RECEPTOR TYPE 1 COMPLEXED WITH ANTAGONIST PEPTIDE AF10847
Descriptor: ANTAGONIST PEPTIDE AF10847, INTERLEUKIN-1 RECEPTOR, TYPE I
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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BU of 1itb by Molmil
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
3PSD
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BU of 3psd by Molmil
Non-oxime pyrazole based inhibitors of B-Raf kinase
Descriptor: 6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole, B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE
Authors:Morales, T, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-12-01
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Non-oxime pyrazole based inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3O96
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BU of 3o96 by Molmil
Crystal Structure of Human AKT1 with an Allosteric Inhibitor
Descriptor: 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase
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:2023-09-06
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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BU of 3ocb by Molmil
Akt1 kinase domain with pyrrolopyrimidine inhibitor
Descriptor: (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine, GSK 3 beta peptide, v-akt murine thymoma viral oncogene homolog 1 (AKT1)
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
3OW3
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BU of 3ow3 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
Descriptor: (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, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-09-17
Release date:2010-11-10
Last modified:2023-09-06
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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BU of 3ow4 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
Descriptor: (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, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase
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
3OMV
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BU of 3omv by Molmil
Crystal structure of c-raf (raf-1)
Descriptor: (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, RAF proto-oncogene serine/threonine-protein kinase
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:2023-09-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:RAF inhibitors prime wild-type RAF to activate the MAPK pathway and enhance growth.
Nature, 464, 2010
3PRF
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BU of 3prf by Molmil
Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor
Descriptor: 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol, Serine/threonine-protein kinase B-raf
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:2024-02-21
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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BU of 3pri by Molmil
Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor
Descriptor: 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol, Serine/threonine-protein kinase B-raf
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:2024-02-21
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PPK
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BU of 3ppk by Molmil
Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor
Descriptor: 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide, Serine/threonine-protein kinase B-raf
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:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PSB
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BU of 3psb by Molmil
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:2023-09-06
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
3PPJ
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BU of 3ppj by Molmil
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:2024-02-21
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3QKL
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BU of 3qkl by Molmil
Spirochromane Akt Inhibitors
Descriptor: 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, RAC-alpha serine/threonine-protein kinase
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
3QKK
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BU of 3qkk by Molmil
Spirochromane Akt Inhibitors
Descriptor: 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, RAC-alpha serine/threonine-protein kinase
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
3QKM
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BU of 3qkm by Molmil
Spirocyclic sulfonamides as AKT inhibitors
Descriptor: 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, RAC-alpha serine/threonine-protein kinase
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
1NCF
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BU of 1ncf by Molmil
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
4MNE
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BU of 4mne by Molmil
Crystal structure of the BRAF:MEK1 complex
Descriptor: 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
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:2023-09-20
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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BU of 4mnf by Molmil
Crystal structure of BRAF-V600E bound to GDC0879
Descriptor: 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf
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:2023-09-20
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

 

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