7LG8
 
 | | EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor | | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2021-01-19 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors.
Nat Commun, 13, 2022
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7B85
 | | Crystal Structure of EGFR-WT in Complex with TAK-788 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | | Deposit date: | 2020-12-12 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
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7TVD
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7NZN
 | | Structure of RET kinase domain bound to inhibitor JB-48 | | Descriptor: | 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | | Authors: | Briggs, D.C, McDonald, N.Q. | | Deposit date: | 2021-03-24 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose.
J.Med.Chem., 65, 2022
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7KP6
 | | Structure of Ack1 kinase in complex with a selective inhibitor | | Descriptor: | 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine, Activated CDC42 kinase 1, CHLORIDE ION | | Authors: | Thakur, M.K, Miller, W.T, Mahajan, N, Seeliger, M.A. | | Deposit date: | 2020-11-10 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance.
Nat Commun, 13, 2022
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7PG2
 | | Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin, conf 1 | | Descriptor: | Insulin, Isoform Short of Insulin receptor | | Authors: | Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P. | | Deposit date: | 2021-08-12 | | Release date: | 2022-02-02 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
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7PG4
 | | Low resolution Cryo-EM structure of the full-length insulin receptor bound to 2 insulin, conf 3 | | Descriptor: | Insulin, Isoform Short of Insulin receptor | | Authors: | Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P. | | Deposit date: | 2021-08-12 | | Release date: | 2022-02-02 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (9.1 Å) | | Cite: | Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
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7PG3
 | | Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2 | | Descriptor: | Insulin, Isoform Short of Insulin receptor | | Authors: | Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P. | | Deposit date: | 2021-08-12 | | Release date: | 2022-02-02 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
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7PG0
 | | Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin with visible ddm micelle, conf 1 | | Descriptor: | Insulin, Isoform Short of Insulin receptor | | Authors: | Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P. | | Deposit date: | 2021-08-12 | | Release date: | 2022-02-02 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
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7DU8
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7Q7W
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7Q7I
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7Q7L
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7Q6H
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7Q7K
 | | JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol | | Descriptor: | 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol, Tyrosine-protein kinase JAK2 | | Authors: | Rowland, P. | | Deposit date: | 2021-11-09 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
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7MFD
 | | Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved | | Descriptor: | 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | | Authors: | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | Deposit date: | 2021-04-09 | | Release date: | 2022-01-26 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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7MFE
 | | Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved | | Descriptor: | 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION | | Authors: | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | Deposit date: | 2021-04-09 | | Release date: | 2022-01-26 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.07 Å) | | Cite: | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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7MFF
 | | Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor | | Descriptor: | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | | Authors: | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | Deposit date: | 2021-04-09 | | Release date: | 2022-01-26 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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7RUN
 | | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor. | | Descriptor: | 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret | | Authors: | Lee, C.C, Spraggon, G. | | Deposit date: | 2021-08-17 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7KXZ
 | | Active conformation of EGFR kinase in complex with BI-4020 | | Descriptor: | (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one, CHLORIDE ION, Epidermal growth factor receptor | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2020-12-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analysis of the macrocyclic inhibitor BI-4020 binding to the active and inactive conformations of EGFR kinase
To be published
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7KY0
 | | Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020 | | Descriptor: | (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one, Epidermal growth factor receptor | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2020-12-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural analysis of the macrocyclic inhibitor BI-4020 binding to the active and inactive conformations of EGFR kinase
To be published
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7FCZ
 | | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | | Descriptor: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-07-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
 | | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | | Descriptor: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-07-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7DUA
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7DU9
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