8SC7
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8S9P
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![BU of 8s9p by Molmil](/molmil-images/mine/8s9p) | 1:1:1 agrin/LRP4/MuSK complex | Descriptor: | Agrin, Low-density lipoprotein receptor-related protein 4, Muscle, ... | Authors: | Xie, T, Xu, G.J, Liu, Y, Quade, B, Lin, W.C, Bai, X.C. | Deposit date: | 2023-03-29 | Release date: | 2023-05-17 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into the assembly of the agrin/LRP4/MuSK signaling complex. Proc.Natl.Acad.Sci.USA, 120, 2023
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8S9F
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8S9A
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![BU of 8s9a by Molmil](/molmil-images/mine/8s9a) | Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | Descriptor: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S99
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![BU of 8s99 by Molmil](/molmil-images/mine/8s99) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S98
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![BU of 8s98 by Molmil](/molmil-images/mine/8s98) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | Descriptor: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S93
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![BU of 8s93 by Molmil](/molmil-images/mine/8s93) | Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase | Descriptor: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, GLYCEROL, Tyrosine-protein kinase BTK, ... | Authors: | Lin, D.Y, Andreotti, A.H. | Deposit date: | 2023-03-27 | Release date: | 2023-08-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife, 12, 2024
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8S3X
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![BU of 8s3x by Molmil](/molmil-images/mine/8s3x) | LIM Domain Kinase 2 (LIMK2) bound to compound 52 | Descriptor: | 4-(5-cyclopropyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-~{N}-[3-(3-methoxyphenyl)phenyl]-3,6-dihydro-2~{H}-pyridine-1-carboxamide, LIM domain kinase 2 | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Ple, K, Knapp, S. | Deposit date: | 2024-02-20 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | LIM Domain Kinase 2 (LIMK2) bound to compound 52 To Be Published
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8RRZ
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![BU of 8rrz by Molmil](/molmil-images/mine/8rrz) | Crystal structure of SYK kinase in complex with compound 1 | Descriptor: | GLYCEROL, N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide, Tyrosine-protein kinase SYK | Authors: | Canevari, G. | Deposit date: | 2024-01-24 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors. Eur.J.Med.Chem., 270, 2024
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8RRQ
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![BU of 8rrq by Molmil](/molmil-images/mine/8rrq) | Crystal structure of human SYK in complex with compound 24 | Descriptor: | GLYCEROL, N-[(1S,2R)-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide, Tyrosine-protein kinase SYK | Authors: | Canevari, G. | Deposit date: | 2024-01-23 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors. Eur.J.Med.Chem., 270, 2024
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8QQY
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![BU of 8qqy by Molmil](/molmil-images/mine/8qqy) | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165 | Descriptor: | 1,2-ETHANEDIOL, 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide, Ephrin type-A receptor 2 | Authors: | Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-06 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165 To Be Published
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8QQG
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![BU of 8qqg by Molmil](/molmil-images/mine/8qqg) | Structure of BRAF in Complex With Exarafenib (KIN-2787). | Descriptor: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Schmitt, A, Costanzi, E, Kania, R, Chen, Y.K. | Deposit date: | 2023-10-04 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.979 Å) | Cite: | Structure of BRAF in Complex With Exarafenib (KIN-2787). To Be Published
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8PYN
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![BU of 8pyn by Molmil](/molmil-images/mine/8pyn) | Human IGF1R with inhibitor 56 | Descriptor: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Human IGF1R with inhibitor 56 To Be Published
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8PYM
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![BU of 8pym by Molmil](/molmil-images/mine/8pym) | Human IGF1R with inhibitor 54 | Descriptor: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.652 Å) | Cite: | Human IGF1R with inhibitor 54 To Be Published
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8PYL
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![BU of 8pyl by Molmil](/molmil-images/mine/8pyl) | Human IGF1R with inhibitor 53 | Descriptor: | (5S)-5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Human IGF1R with inhibitor 53 To Be Published
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8PYK
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![BU of 8pyk by Molmil](/molmil-images/mine/8pyk) | Human IGF1R with inhibitor 47 | Descriptor: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione, Insulin-like growth factor 1 receptor beta chain, NICKEL (II) ION | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Human IGF1R with inhibitor 47 To Be Published
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8PYJ
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![BU of 8pyj by Molmil](/molmil-images/mine/8pyj) | Human IGF1R with inhibitor 8 | Descriptor: | 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Human IGF1R with inhibitor 8 To Be Published
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8PYI
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![BU of 8pyi by Molmil](/molmil-images/mine/8pyi) | Human IGF1R with inhibitor 6 | Descriptor: | 3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol, Insulin-like growth factor 1 receptor beta chain | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Human IGF1R with inhibitor 6 To Be Published
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8PQK
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8PQJ
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![BU of 8pqj by Molmil](/molmil-images/mine/8pqj) | PDGFRA wild-type kinase domain | Descriptor: | Platelet-derived growth factor receptor alpha | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQI
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![BU of 8pqi by Molmil](/molmil-images/mine/8pqi) | PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9 | Descriptor: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQH
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![BU of 8pqh by Molmil](/molmil-images/mine/8pqh) | PDGFRA T674I mutant kinase domain in complex with avapritinib | Descriptor: | (1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQG
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![BU of 8pqg by Molmil](/molmil-images/mine/8pqg) | c-KIT T670I mutated kinase domain in complex with avapritinib | Descriptor: | (1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQF
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![BU of 8pqf by Molmil](/molmil-images/mine/8pqf) | c-KIT kinase domain in complex with avapritinib derivative 12 | Descriptor: | Mast/stem cell growth factor receptor Kit, methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQE
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![BU of 8pqe by Molmil](/molmil-images/mine/8pqe) | c-KIT kinase domain in complex with avapritinib derivative 11 | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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