4PP7
| Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | Descriptor: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | Deposit date: | 2014-02-26 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 24, 2014
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3TV4
| 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
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4G9R
| B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C, Sturgis, H.L. | Deposit date: | 2012-07-24 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4G9C
| Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor | Descriptor: | 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C, Sturgis, H.L. | Deposit date: | 2012-07-23 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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3TV6
| 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
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3SKC
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4E4X
| Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor | Descriptor: | N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C, Sturgis, H.L. | Deposit date: | 2012-03-13 | Release date: | 2012-05-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 22, 2012
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4EHG
| 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
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4EHE
| 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
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4MBJ
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4KTC
| 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
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3PRF
| 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
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3PRI
| 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
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3PPK
| 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
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3PPJ
| 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
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3PSB
| 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
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