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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
5HIE
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BU of 5hie by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib
Descriptor: Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HID
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BU of 5hid by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628
Descriptor: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HI2
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BU of 5hi2 by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib
Descriptor: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.512 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
4LMN
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BU of 4lmn by Molmil
Crystal Structure of MEK1 kinase bound to GDC0973
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ultsch, M.H.
Deposit date:2013-07-10
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers.
Nature, 501, 2013
4EHE
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BU of 4ehe by Molmil
B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor
Descriptor: 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C.
Deposit date:2012-04-02
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
4EHG
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BU of 4ehg by Molmil
B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor
Descriptor: N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C.
Deposit date:2012-04-02
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
5DBM
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BU of 5dbm by Molmil
Crystal structure of the CBP bromodomain in complex with CPI703
Descriptor: (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein
Authors:Setser, J.W, Poy, F, Bellon, S.F.
Deposit date:2015-08-21
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
5HIC
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BU of 5hic by Molmil
EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor
Descriptor: Epidermal growth factor receptor, N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HIB
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BU of 5hib by Molmil
EGFR kinase domain mutant "TMLR" with a pyrazolopyrimidine inhibitor
Descriptor: Epidermal growth factor receptor, N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
3TV6
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BU of 3tv6 by Molmil
Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor
Descriptor: 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C, Sturgis, H.L, Wu, W.-I.
Deposit date:2011-09-19
Release date:2011-10-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
3TV4
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BU of 3tv4 by Molmil
Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor
Descriptor: N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C, Selby, L.T, Wu, W.-I.
Deposit date:2011-09-19
Release date:2011-10-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
5W0Q
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BU of 5w0q by Molmil
CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide)
Descriptor: (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0I
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CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0F
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BU of 5w0f by Molmil
CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0L
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BU of 5w0l by Molmil
CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
4YK0
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BU of 4yk0 by Molmil
Crystal structure of the CBP bromodomain in complex with CPI098
Descriptor: (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Bellon, S.F, Jayaram, H.
Deposit date:2015-03-03
Release date:2016-04-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
4ZVV
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Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140
Descriptor: (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Li, Y, Chen, Z, Eigenbrot, C.
Deposit date:2015-05-18
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016

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