3H59
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![BU of 3h59 by Molmil](/molmil-images/mine/3h59) | Hepatitis C virus polymerase NS5B with thiazine inhibitor 2 | Descriptor: | N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Harris, S.F, Ghate, M. | Deposit date: | 2009-04-21 | Release date: | 2009-09-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids Bioorg.Med.Chem.Lett., 19, 2009
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3NPC
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![BU of 3npc by Molmil](/molmil-images/mine/3npc) | Crystal structure of JNK2 complexed with BIRB796 | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 9 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2010-06-28 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: Insights into the rational design of DFG-out binding MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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4IH5
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![BU of 4ih5 by Molmil](/molmil-images/mine/4ih5) | |
3G86
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![BU of 3g86 by Molmil](/molmil-images/mine/3g86) | Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor | Descriptor: | N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase | Authors: | Harris, S.F, Ghate, M. | Deposit date: | 2009-02-11 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones Bioorg.Med.Chem.Lett., 19, 2009
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1P57
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![BU of 1p57 by Molmil](/molmil-images/mine/1p57) | Extracellular domain of human hepsin | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin | Authors: | Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A. | Deposit date: | 2003-04-25 | Release date: | 2004-01-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain Structure, 11, 2003
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4IH6
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![BU of 4ih6 by Molmil](/molmil-images/mine/4ih6) | |
4IH7
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![BU of 4ih7 by Molmil](/molmil-images/mine/4ih7) | |
3H5U
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![BU of 3h5u by Molmil](/molmil-images/mine/3h5u) | Hepatitis C virus polymerase NS5B with saccharin inhibitor 1 | Descriptor: | N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase | Authors: | Harris, S.F, Ghate, M. | Deposit date: | 2009-04-22 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides Bioorg.Med.Chem.Lett., 19, 2009
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4HYU
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![BU of 4hyu by Molmil](/molmil-images/mine/4hyu) | |
3MF5
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![BU of 3mf5 by Molmil](/molmil-images/mine/3mf5) | |
3FMH
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![BU of 3fmh by Molmil](/molmil-images/mine/3fmh) | |
3FLY
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![BU of 3fly by Molmil](/molmil-images/mine/3fly) | |
3FMM
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![BU of 3fmm by Molmil](/molmil-images/mine/3fmm) | P38 kinase crystal structure in complex with RO6226 | Descriptor: | 6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2008-12-22 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | P38 kinase crystal structure in complex with RO6226 To be Published
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3FMK
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![BU of 3fmk by Molmil](/molmil-images/mine/3fmk) | |
3FMN
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![BU of 3fmn by Molmil](/molmil-images/mine/3fmn) | P38 kinase crystal structure in complex with RO2530 | Descriptor: | 6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2008-12-22 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | P38 kinase crystal structure in complex with RO2530 To be Published
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3FLW
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![BU of 3flw by Molmil](/molmil-images/mine/3flw) | P38 kinase crystal structure in complex with pamapimod | Descriptor: | 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2008-12-19 | Release date: | 2009-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
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3FMJ
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![BU of 3fmj by Molmil](/molmil-images/mine/3fmj) | |
3FML
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![BU of 3fml by Molmil](/molmil-images/mine/3fml) | P38 kinase crystal structure in complex with RO6224 | Descriptor: | 6-(2,4-difluorophenoxy)-N-[(1S)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2008-12-22 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | P38 kinase crystal structure in complex with RO6224 To be Published
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3FLS
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![BU of 3fls by Molmil](/molmil-images/mine/3fls) | |
3FLZ
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![BU of 3flz by Molmil](/molmil-images/mine/3flz) | |
3FKN
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![BU of 3fkn by Molmil](/molmil-images/mine/3fkn) | P38 kinase crystal structure in complex with RO7125 | Descriptor: | 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2008-12-17 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
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3FKL
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![BU of 3fkl by Molmil](/molmil-images/mine/3fkl) | P38 kinase crystal structure in complex with RO9552 | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2008-12-17 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
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