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PDB: 836 件
5H0E
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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
分子名称: (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
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
5H0H
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BU of 5h0h by Molmil
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
分子名称: (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
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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
5H0G
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BU of 5h0g by Molmil
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
分子名称: (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
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
5ZQQ
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BU of 5zqq by Molmil
Tankyrase-2 in complex with compound 52
分子名称: 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, ...
著者Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2018-04-19
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
5ZQO
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BU of 5zqo by Molmil
Tankyrase-2 in complex with compound 1a
分子名称: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, SULFATE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2018-04-19
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
5ZSU
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BU of 5zsu by Molmil
Structure of the human homo-hexameric LRRC8A channel at 4.25 Angstroms
分子名称: Volume-regulated anion channel subunit LRRC8A
著者Kasuya, G, Nakane, T, Yokoyama, T, Shirouzu, M, Ishitani, R, Nureki, O.
登録日2018-04-29
公開日2018-08-15
最終更新日2018-09-26
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Cryo-EM structures of the human volume-regulated anion channel LRRC8.
Nat. Struct. Mol. Biol., 25, 2018
5ZQP
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BU of 5zqp by Molmil
Tankyrase-2 in complex with compound 12
分子名称: 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one, GLYCEROL, PHOSPHATE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2018-04-19
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
5ZQR
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BU of 5zqr by Molmil
Tankyrase-2 in complex with compound 40c
分子名称: 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, ...
著者Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2018-04-19
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
6A84
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BU of 6a84 by Molmil
Tankyrase-2 in complex with compound 15d
分子名称: 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, ...
著者Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2018-07-06
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
8H7X
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BU of 8h7x by Molmil
Crystal structure of EGFR T790M/C797S mutant in complex with brigatinib
分子名称: 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
著者Kukimoto-Niino, M, Shirouzu, M.
登録日2022-10-21
公開日2023-10-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.404 Å)
主引用文献A macrocyclic kinase inhibitor overcomes triple resistant mutations in EGFR-positive lung cancer.
NPJ Precis Oncol, 8, 2024
8JHK
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BU of 8jhk by Molmil
Cryo-EM structure of the DOCK5/ELMO1 complex, focused on one protomer
分子名称: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1
著者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.
登録日2023-05-23
公開日2024-05-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.76 Å)
主引用文献RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
6AJ4
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BU of 6aj4 by Molmil
Crystal structure of the DHR-2 domain of DOCK7 in complex with Cdc42
分子名称: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 7
著者Kukimoto-Niino, M, Shirouzu, M.
登録日2018-08-27
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.256 Å)
主引用文献Structural Basis for the Dual Substrate Specificity of DOCK7 Guanine Nucleotide Exchange Factor.
Structure, 27, 2019
6AJL
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BU of 6ajl by Molmil
DOCK7 mutant I1836Y complexed with Cdc42
分子名称: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 7
著者Kukimoto-Niino, M, Shirouzu, M.
登録日2018-08-28
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Structural Basis for the Dual Substrate Specificity of DOCK7 Guanine Nucleotide Exchange Factor.
Structure, 27, 2019
8H79
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BU of 8h79 by Molmil
The crystal structure of cyanorhodopsin-II (CyR-II) P7104R from Nodosilinea nodulosa PCC 7104
分子名称: CHLORIDE ION, HEXADECANE, HEXANE, ...
著者Hosaka, T, Kimura-Someya, T, Shirouzu, M.
登録日2022-10-19
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Cyanorhodopsin-II: diverse proton-pumping rhodopsins in the cyanobacterial lineage illuminated by large-scale metagenomic
To Be Published
8I5W
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BU of 8i5w by Molmil
Crystal structure of the DHR-2 domain of DOCK10 in complex with Rac1
分子名称: Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION
著者Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M.
登録日2023-01-26
公開日2023-03-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.432 Å)
主引用文献Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
8I5F
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BU of 8i5f by Molmil
Crystal structure of the DHR-2 domain of DOCK10 in complex with Cdc42 (T17N mutant)
分子名称: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10
著者Kukimoto-Niino, M, Mishima-Tsumagari, C, Fukui, Y, Yokoyama, S, Shirouzu, M.
登録日2023-01-25
公開日2023-03-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
8I5V
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BU of 8i5v by Molmil
DOCK10 mutant L1903Y complexed with Rac1
分子名称: Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION
著者Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M.
登録日2023-01-26
公開日2023-03-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.726 Å)
主引用文献Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
8I5L
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BU of 8i5l by Molmil
Crystal structure of P domain from norovirus GI.4 capsid protein in complex with broad specificity antibody single-chain Fv fragment CV-2F5.
分子名称: Capsid protein, scFv fragment
著者Kato-Murayama, M, Murayama, K, Shirouzu, M.
登録日2023-01-26
公開日2024-01-31
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
8JG5
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BU of 8jg5 by Molmil
Cryo-EM structure of the GI.4 Chiba VLP complexed with the CV-1A1 Fv-clasp
分子名称: VH,SARAH, VL,SARAH, VP1
著者Hosaka, T, Katsura, K, Kimura-Someya, T, Someya, Y, Shirouzu, M.
登録日2023-05-19
公開日2024-04-17
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献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
5ZEA
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BU of 5zea by Molmil
Crystal structure of the nucleotide-free mutant A3B3
分子名称: GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B
著者Maruyama, S, Suzuki, K, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T.
登録日2018-02-27
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.384 Å)
主引用文献Metastable asymmetrical structure of a shaftless V1motor.
Sci Adv, 5, 2019
7YMQ
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BU of 7ymq by Molmil
Crystal structure of lysoplasmalogen specific phopholipase D, F211L mutant
分子名称: Lysoplasmalogenase
著者Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H.
登録日2022-07-29
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
7YMR
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BU of 7ymr by Molmil
Complex structure of lysoplasmalogen specific phopholipase D, F211L mutant with LPC
分子名称: Lysoplasmalogenase, [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{5}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
著者Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H.
登録日2022-07-29
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
7YMP
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BU of 7ymp by Molmil
Crystal structure of lysoplasmalogen specific phospholipase D
分子名称: Lysoplasmalogenase
著者Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H.
登録日2022-07-29
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
7Y7D
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BU of 7y7d by Molmil
Structure of the Bacterial Ribosome with human tRNA Asp(Q34) and mRNA(GAU)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T.
登録日2022-06-22
公開日2023-10-25
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth.
Cell, 186, 2023
7Y7C
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BU of 7y7c by Molmil
Structure of the Bacterial Ribosome with human tRNA Asp(G34) and mRNA(GAU)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T.
登録日2022-06-22
公開日2023-10-25
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth.
Cell, 186, 2023

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