5SXK
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![BU of 5sxk by Molmil](/molmil-images/mine/5sxk) | Crystal Structure of PI3Kalpha in complex with fragment 18 | Descriptor: | 2-methylbenzene-1,3-diamine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-09 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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8XN8
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![BU of 8xn8 by Molmil](/molmil-images/mine/8xn8) | The Crystal Structure of SRC from Biortus. | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C. | Deposit date: | 2023-12-29 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of SRC from Biortus. To Be Published
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8WFY
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![BU of 8wfy by Molmil](/molmil-images/mine/8wfy) | The Crystal Structure of SHP2 from Biortus. | Descriptor: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-09-20 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of SHP2 from Biortus. To Be Published
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8TGD
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![BU of 8tgd by Molmil](/molmil-images/mine/8tgd) | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha | Descriptor: | 1,2-ETHANEDIOL, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, ... | Authors: | Hilbert, B, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | Deposit date: | 2023-07-12 | Release date: | 2023-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.928 Å) | Cite: | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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8TDU
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![BU of 8tdu by Molmil](/molmil-images/mine/8tdu) | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | Descriptor: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | Deposit date: | 2023-07-05 | Release date: | 2023-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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8T7Q
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![BU of 8t7q by Molmil](/molmil-images/mine/8t7q) | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | Descriptor: | 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | Deposit date: | 2023-06-21 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
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8T8Q
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![BU of 8t8q by Molmil](/molmil-images/mine/8t8q) | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | Descriptor: | 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | Deposit date: | 2023-06-23 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
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8W9A
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![BU of 8w9a by Molmil](/molmil-images/mine/8w9a) | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site | Descriptor: | 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Huang, X, Ren, X, Zhong, W. | Deposit date: | 2023-09-05 | Release date: | 2024-04-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 32, 2024
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8W9B
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![BU of 8w9b by Molmil](/molmil-images/mine/8w9b) | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site | Descriptor: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Huang, X, Ren, X, Zhong, W. | Deposit date: | 2023-09-05 | Release date: | 2024-04-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 32, 2024
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5UL1
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![BU of 5ul1 by Molmil](/molmil-images/mine/5ul1) | The co-structure of 3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide and a rationally designed PI3K-alpha mutant that mimics ATR | Descriptor: | 3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A, Mamo, M. | Deposit date: | 2017-01-23 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors. J. Mol. Biol., 429, 2017
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1FMK
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![BU of 1fmk by Molmil](/molmil-images/mine/1fmk) | |
2FO0
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![BU of 2fo0 by Molmil](/molmil-images/mine/2fo0) | Organization of the SH3-SH2 Unit in Active and Inactive Forms of the c-Abl Tyrosine Kinase | Descriptor: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, GLYCEROL, MYRISTIC ACID, ... | Authors: | Nagar, B, Hantschel, O, Seeliger, M, Davies, J.M, Weis, W.I, Superti-Furga, G, Kuriyan, J. | Deposit date: | 2006-01-12 | Release date: | 2006-03-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Organization of the SH3-SH2 unit in active and inactive forms of the c-Abl tyrosine kinase. Mol.Cell, 21, 2006
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2EYY
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![BU of 2eyy by Molmil](/molmil-images/mine/2eyy) | CT10-Regulated Kinase isoform I | Descriptor: | v-crk sarcoma virus CT10 oncogene homolog isoform a | Authors: | Kobashigawa, Y, Tanaka, S, Inagaki, F. | Deposit date: | 2005-11-10 | Release date: | 2006-11-10 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for the transforming activity of human cancer-related signaling adaptor protein CRK. Nat.Struct.Mol.Biol., 14, 2007
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2H8H
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![BU of 2h8h by Molmil](/molmil-images/mine/2h8h) | Src kinase in complex with a quinazoline inhibitor | Descriptor: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Otterbein, L.R, Norman, R, Pauptit, R.A, Rowsell, S, Breed, J. | Deposit date: | 2006-06-07 | Release date: | 2006-11-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor. J.Med.Chem., 49, 2006
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2HCK
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![BU of 2hck by Molmil](/molmil-images/mine/2hck) | SRC FAMILY KINASE HCK-QUERCETIN COMPLEX | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, CALCIUM ION, HEMATOPOETIC CELL KINASE HCK | Authors: | Sicheri, F, Moarefi, I, Kuriyan, J. | Deposit date: | 1997-02-25 | Release date: | 1997-08-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the Src family tyrosine kinase Hck. Nature, 385, 1997
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2EYZ
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![BU of 2eyz by Molmil](/molmil-images/mine/2eyz) | CT10-Regulated Kinase isoform II | Descriptor: | v-crk sarcoma virus CT10 oncogene homolog isoform a | Authors: | Kobashigawa, Y, Tanaka, S, Inagaki, F. | Deposit date: | 2005-11-10 | Release date: | 2006-11-10 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for the transforming activity of human cancer-related signaling adaptor protein CRK. Nat.Struct.Mol.Biol., 14, 2007
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2DVJ
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![BU of 2dvj by Molmil](/molmil-images/mine/2dvj) | phosphorylated Crk-II | Descriptor: | V-crk sarcoma virus CT10 oncogene homolog, isoform a | Authors: | Kobashigawa, Y, Inagaki, F. | Deposit date: | 2006-07-31 | Release date: | 2007-05-08 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Structural basis for the transforming activity of human cancer-related signaling adaptor protein CRK. Nat.Struct.Mol.Biol., 14, 2007
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1LCK
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![BU of 1lck by Molmil](/molmil-images/mine/1lck) | |
1M27
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![BU of 1m27 by Molmil](/molmil-images/mine/1m27) | Crystal structure of SAP/FynSH3/SLAM ternary complex | Descriptor: | CITRATE ANION, Proto-oncogene tyrosine-protein kinase FYN, SH2 domain protein 1A, ... | Authors: | Chan, B, Griesbach, J, Song, H.K, Poy, F, Terhorst, C, Eck, M.J. | Deposit date: | 2002-06-21 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | SAP couples Fyn to SLAM immune receptors. NAT.CELL BIOL., 5, 2003
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1OPK
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![BU of 1opk by Molmil](/molmil-images/mine/1opk) | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | Descriptor: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, GLYCEROL, MYRISTIC ACID, ... | Authors: | Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J. | Deposit date: | 2003-03-06 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the autoinhibition of c-Abl tyrosine kinase Cell(Cambridge,Mass.), 112, 2003
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