6C1S
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![BU of 6c1s by Molmil](/molmil-images/mine/6c1s) | Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile | Authors: | Jacobs, M.D, Griffin, J.P. | Deposit date: | 2018-01-05 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS). J. Med. Chem., 61, 2018
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1NFI
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![BU of 1nfi by Molmil](/molmil-images/mine/1nfi) | I-KAPPA-B-ALPHA/NF-KAPPA-B COMPLEX | Descriptor: | I-KAPPA-B-ALPHA, NF-KAPPA-B P50, NF-KAPPA-B P65 | Authors: | Jacobs, M.D, Harrison, S.C. | Deposit date: | 1998-08-25 | Release date: | 1998-11-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of an IkappaBalpha/NF-kappaB complex. Cell(Cambridge,Mass.), 95, 1998
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3G9N
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3G9L
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2PL0
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![BU of 2pl0 by Molmil](/molmil-images/mine/2pl0) | LCK bound to imatinib | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Jacobs, M.D. | Deposit date: | 2007-04-18 | Release date: | 2007-10-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Classifying protein kinase structures guides use of ligand-selectivity profiles to predict inactive conformations: Structure of lck/imatinib complex. Proteins, 70, 2007
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3FC1
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![BU of 3fc1 by Molmil](/molmil-images/mine/3fc1) | Crystal structure of p38 kinase bound to pyrimido-pyridazinone inhibitor | Descriptor: | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, CHLORIDE ION, Mitogen-activated protein kinase 14 | Authors: | Jacobs, M.D, Bellon, S. | Deposit date: | 2008-11-20 | Release date: | 2008-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase. J.Med.Chem., 48, 2005
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3G90
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2OJG
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2OJJ
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2OJI
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2OK1
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![BU of 2ok1 by Molmil](/molmil-images/mine/2ok1) | |