3NL9
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![BU of 3nl9 by Molmil](/molmil-images/mine/3nl9) | |
5VLR
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![BU of 5vlr by Molmil](/molmil-images/mine/5vlr) | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | Descriptor: | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Sack, J.S. | Deposit date: | 2017-04-26 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders. J. Med. Chem., 60, 2017
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7N4S
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![BU of 7n4s by Molmil](/molmil-images/mine/7n4s) | Bruton's tyrosine kinase in complex with compound 65 | Descriptor: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4R
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![BU of 7n4r by Molmil](/molmil-images/mine/7n4r) | Bruton's tyrosine kinase in complex with compound 21 | Descriptor: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4Q
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![BU of 7n4q by Molmil](/molmil-images/mine/7n4q) | Bruton's tyrosine kinase in complex with compound 45 | Descriptor: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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3L5O
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![BU of 3l5o by Molmil](/molmil-images/mine/3l5o) | |
3HSA
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![BU of 3hsa by Molmil](/molmil-images/mine/3hsa) | |
3K5J
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![BU of 3k5j by Molmil](/molmil-images/mine/3k5j) | |
3KK7
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![BU of 3kk7 by Molmil](/molmil-images/mine/3kk7) | |
3EQX
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![BU of 3eqx by Molmil](/molmil-images/mine/3eqx) | |
3F1Z
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![BU of 3f1z by Molmil](/molmil-images/mine/3f1z) | |
3O17
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![BU of 3o17 by Molmil](/molmil-images/mine/3o17) | Crystal Structure of JNK1-alpha1 isoform | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2010-07-20 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of JNK1-alpha1 isoform TO BE PUBLISHED
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2GVI
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![BU of 2gvi by Molmil](/molmil-images/mine/2gvi) | |
3GF8
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![BU of 3gf8 by Molmil](/molmil-images/mine/3gf8) | |
3HBZ
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![BU of 3hbz by Molmil](/molmil-images/mine/3hbz) | |
3H0N
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![BU of 3h0n by Molmil](/molmil-images/mine/3h0n) | |
2OOK
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![BU of 2ook by Molmil](/molmil-images/mine/2ook) | |
2GLZ
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![BU of 2glz by Molmil](/molmil-images/mine/2glz) | |
2PV7
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![BU of 2pv7 by Molmil](/molmil-images/mine/2pv7) | |
2Q3L
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![BU of 2q3l by Molmil](/molmil-images/mine/2q3l) | |
2FG0
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![BU of 2fg0 by Molmil](/molmil-images/mine/2fg0) | |
2HUJ
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![BU of 2huj by Molmil](/molmil-images/mine/2huj) | |
2G36
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![BU of 2g36 by Molmil](/molmil-images/mine/2g36) | |
2IAY
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![BU of 2iay by Molmil](/molmil-images/mine/2iay) | |
2HAG
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![BU of 2hag by Molmil](/molmil-images/mine/2hag) | |