5H0E
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![BU of 5h0e by Molmil](/molmil-images/mine/5h0e) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
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5H0H
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![BU of 5h0h by Molmil](/molmil-images/mine/5h0h) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
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5H0G
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![BU of 5h0g by Molmil](/molmil-images/mine/5h0g) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,4-dimethylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
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5ZQQ
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![BU of 5zqq by Molmil](/molmil-images/mine/5zqq) | Tankyrase-2 in complex with compound 52 | Descriptor: | 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one, GLYCEROL, PHOSPHATE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | Deposit date: | 2018-04-19 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. J. Med. Chem., 62, 2019
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5ZQO
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![BU of 5zqo by Molmil](/molmil-images/mine/5zqo) | Tankyrase-2 in complex with compound 1a | Descriptor: | 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | Deposit date: | 2018-04-19 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. J. Med. Chem., 62, 2019
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5ZSU
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![BU of 5zsu by Molmil](/molmil-images/mine/5zsu) | Structure of the human homo-hexameric LRRC8A channel at 4.25 Angstroms | Descriptor: | Volume-regulated anion channel subunit LRRC8A | Authors: | Kasuya, G, Nakane, T, Yokoyama, T, Shirouzu, M, Ishitani, R, Nureki, O. | Deposit date: | 2018-04-29 | Release date: | 2018-08-15 | Last modified: | 2018-09-26 | Method: | ELECTRON MICROSCOPY (4.25 Å) | Cite: | Cryo-EM structures of the human volume-regulated anion channel LRRC8. Nat. Struct. Mol. Biol., 25, 2018
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5ZQP
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![BU of 5zqp by Molmil](/molmil-images/mine/5zqp) | Tankyrase-2 in complex with compound 12 | Descriptor: | 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one, GLYCEROL, PHOSPHATE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | Deposit date: | 2018-04-19 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. J. Med. Chem., 62, 2019
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5ZQR
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![BU of 5zqr by Molmil](/molmil-images/mine/5zqr) | Tankyrase-2 in complex with compound 40c | Descriptor: | 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | Deposit date: | 2018-04-19 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. J. Med. Chem., 62, 2019
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6A84
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![BU of 6a84 by Molmil](/molmil-images/mine/6a84) | Tankyrase-2 in complex with compound 15d | Descriptor: | 2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | Deposit date: | 2018-07-06 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. J. Med. Chem., 62, 2019
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8H7X
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![BU of 8h7x by Molmil](/molmil-images/mine/8h7x) | Crystal structure of EGFR T790M/C797S mutant in complex with brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | Authors: | Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2022-10-21 | Release date: | 2023-10-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.404 Å) | Cite: | A macrocyclic kinase inhibitor overcomes triple resistant mutations in EGFR-positive lung cancer. NPJ Precis Oncol, 8, 2024
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8JHK
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![BU of 8jhk by Molmil](/molmil-images/mine/8jhk) | Cryo-EM structure of the DOCK5/ELMO1 complex, focused on one protomer | Descriptor: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1 | Authors: | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | Deposit date: | 2023-05-23 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.76 Å) | Cite: | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state. J.Biol.Chem., 2024
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6AJ4
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![BU of 6aj4 by Molmil](/molmil-images/mine/6aj4) | |
6AJL
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![BU of 6ajl by Molmil](/molmil-images/mine/6ajl) | DOCK7 mutant I1836Y complexed with Cdc42 | Descriptor: | Cell division control protein 42 homolog, Dedicator of cytokinesis protein 7 | Authors: | Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2018-08-28 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Structural Basis for the Dual Substrate Specificity of DOCK7 Guanine Nucleotide Exchange Factor. Structure, 27, 2019
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8H79
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![BU of 8h79 by Molmil](/molmil-images/mine/8h79) | |
8I5W
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![BU of 8i5w by Molmil](/molmil-images/mine/8i5w) | Crystal structure of the DHR-2 domain of DOCK10 in complex with Rac1 | Descriptor: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | Deposit date: | 2023-01-26 | Release date: | 2023-03-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.432 Å) | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor. Biochem.Biophys.Res.Commun., 653, 2023
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8I5F
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![BU of 8i5f by Molmil](/molmil-images/mine/8i5f) | Crystal structure of the DHR-2 domain of DOCK10 in complex with Cdc42 (T17N mutant) | Descriptor: | Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10 | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Fukui, Y, Yokoyama, S, Shirouzu, M. | Deposit date: | 2023-01-25 | Release date: | 2023-03-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor. Biochem.Biophys.Res.Commun., 653, 2023
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8I5V
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![BU of 8i5v by Molmil](/molmil-images/mine/8i5v) | DOCK10 mutant L1903Y complexed with Rac1 | Descriptor: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | Deposit date: | 2023-01-26 | Release date: | 2023-03-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.726 Å) | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor. Biochem.Biophys.Res.Commun., 653, 2023
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8I5L
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![BU of 8i5l by Molmil](/molmil-images/mine/8i5l) | |
8JG5
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![BU of 8jg5 by Molmil](/molmil-images/mine/8jg5) | Cryo-EM structure of the GI.4 Chiba VLP complexed with the CV-1A1 Fv-clasp | Descriptor: | VH,SARAH, VL,SARAH, VP1 | Authors: | Hosaka, T, Katsura, K, Kimura-Someya, T, Someya, Y, Shirouzu, M. | Deposit date: | 2023-05-19 | Release date: | 2024-04-17 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structural analyses of the GI.4 norovirus by cryo-electron microscopy and X-ray crystallography revealing binding sites for human monoclonal antibodies. J.Virol., 98, 2024
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5ZEA
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![BU of 5zea by Molmil](/molmil-images/mine/5zea) | Crystal structure of the nucleotide-free mutant A3B3 | Descriptor: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | Authors: | Maruyama, S, Suzuki, K, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | Deposit date: | 2018-02-27 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.384 Å) | Cite: | Metastable asymmetrical structure of a shaftless V1motor. Sci Adv, 5, 2019
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7YMQ
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![BU of 7ymq by Molmil](/molmil-images/mine/7ymq) | Crystal structure of lysoplasmalogen specific phopholipase D, F211L mutant | Descriptor: | Lysoplasmalogenase | Authors: | Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H. | Deposit date: | 2022-07-29 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668. Biosci.Biotechnol.Biochem., 87, 2022
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7YMR
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![BU of 7ymr by Molmil](/molmil-images/mine/7ymr) | Complex structure of lysoplasmalogen specific phopholipase D, F211L mutant with LPC | Descriptor: | Lysoplasmalogenase, [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{5}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate | Authors: | Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H. | Deposit date: | 2022-07-29 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668. Biosci.Biotechnol.Biochem., 87, 2022
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7YMP
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![BU of 7ymp by Molmil](/molmil-images/mine/7ymp) | Crystal structure of lysoplasmalogen specific phospholipase D | Descriptor: | Lysoplasmalogenase | Authors: | Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H. | Deposit date: | 2022-07-29 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668. Biosci.Biotechnol.Biochem., 87, 2022
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7Y7D
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![BU of 7y7d by Molmil](/molmil-images/mine/7y7d) | Structure of the Bacterial Ribosome with human tRNA Asp(Q34) and mRNA(GAU) | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T. | Deposit date: | 2022-06-22 | Release date: | 2023-10-25 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth. Cell, 186, 2023
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7Y7C
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![BU of 7y7c by Molmil](/molmil-images/mine/7y7c) | Structure of the Bacterial Ribosome with human tRNA Asp(G34) and mRNA(GAU) | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T. | Deposit date: | 2022-06-22 | Release date: | 2023-10-25 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth. Cell, 186, 2023
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