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 | 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
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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 | 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
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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 | 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
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8K9O
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![BU of 8k9o by Molmil](/molmil-images/mine/8k9o) | |
6IZZ
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![BU of 6izz by Molmil](/molmil-images/mine/6izz) | |
6J00
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![BU of 6j00 by Molmil](/molmil-images/mine/6j00) | |
6IZY
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![BU of 6izy by Molmil](/molmil-images/mine/6izy) | |
6IZX
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![BU of 6izx by Molmil](/molmil-images/mine/6izx) | The RNA-dependent RNA polymerase domain of dengue 2 NS5, bound with RK-0404678 | 分子名称: | 2-oxo-2H-1,3-benzoxathiol-5-yl acetate, COBALT (II) ION, Genome polyprotein, ... | 著者 | Shimizu, H, Sekine, S. | 登録日 | 2018-12-20 | 公開日 | 2019-12-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase. Plos Negl Trop Dis, 13, 2019
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8JNA
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![BU of 8jna by Molmil](/molmil-images/mine/8jna) | CRAF ras-binding domain chimera, apo form | 分子名称: | RAF proto-oncogene serine/threonine-protein kinase, CRaf | 著者 | Kawamura, T, Kumasaka, T. | 登録日 | 2023-06-06 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers To Be Published
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8JNB
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![BU of 8jnb by Molmil](/molmil-images/mine/8jnb) | CRAF ras-binding domain chimera, ligand complex | 分子名称: | 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide, RAF proto-oncogene serine/threonine-protein kinase, CRaf | 著者 | Kawamura, T, Kumasaka, T. | 登録日 | 2023-06-06 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers To Be Published
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8JOG
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![BU of 8jog by Molmil](/molmil-images/mine/8jog) | solution structure of Ras Binding Domein (RBD) in C-RAF with negative allosteric modulator. | 分子名称: | RAF proto-oncogene serine/threonine-protein kinase | 著者 | Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F. | 登録日 | 2023-06-07 | 公開日 | 2024-06-12 | 実験手法 | SOLUTION NMR | 主引用文献 | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers To Be Published
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5XPT
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5XPU
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![BU of 5xpu by Molmil](/molmil-images/mine/5xpu) | |
3HLX
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![BU of 3hlx by Molmil](/molmil-images/mine/3hlx) | |
3HNH
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![BU of 3hnh by Molmil](/molmil-images/mine/3hnh) | Crystal Structure of PqqC Active Site Mutant Y175S,R179S in complex with a reaction intermediate | 分子名称: | (2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, Pyrroloquinoline-quinone synthase | 著者 | Puehringer, S, Schwarzenbacher, R. | 登録日 | 2009-05-31 | 公開日 | 2010-05-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural studies of mutant forms of the PQQ-forming enzyme PqqC in the presence of product and substrate Proteins, 78, 2010
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3HML
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![BU of 3hml by Molmil](/molmil-images/mine/3hml) | |
7C3G
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![BU of 7c3g by Molmil](/molmil-images/mine/7c3g) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | 登録日 | 2020-05-12 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
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5YD8
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8JOF
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![BU of 8jof by Molmil](/molmil-images/mine/8jof) | solution-structure of Ras Binding Domain (RBD) in C-RAF | 分子名称: | RAF proto-oncogene serine/threonine-protein kinase | 著者 | Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F. | 登録日 | 2023-06-07 | 公開日 | 2024-06-12 | 実験手法 | SOLUTION NMR | 主引用文献 | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers To Be Published
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7V5Q
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![BU of 7v5q by Molmil](/molmil-images/mine/7v5q) | The dimeric structure of G80A/H81A/L137E myoglobin | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Xie, C, Komori, H, Hirota, S. | 登録日 | 2021-08-17 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region. Rsc Adv, 11, 2021
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7V5R
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![BU of 7v5r by Molmil](/molmil-images/mine/7v5r) | The dimeric structure of G80A/H81A/L137D myoglobin | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Xie, C, Komori, H, Hirota, S. | 登録日 | 2021-08-17 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region. Rsc Adv, 11, 2021
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7V5P
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![BU of 7v5p by Molmil](/molmil-images/mine/7v5p) | The dimeric structure of G80A/H81A myoglobin | 分子名称: | Myoglobin, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Xie, C, Nagao, S, Shibata, N, Higuchi, Y, Hirota, S. | 登録日 | 2021-08-17 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region. Rsc Adv, 11, 2021
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6JY4
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![BU of 6jy4 by Molmil](/molmil-images/mine/6jy4) | Monomeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Reduced State | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, ... | 著者 | Shinzawa-Itoh, K, Muramoto, K. | 登録日 | 2019-04-26 | 公開日 | 2019-09-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Monomeric structure of an active form of bovine cytochromecoxidase. Proc.Natl.Acad.Sci.USA, 116, 2019
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2EXD
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![BU of 2exd by Molmil](/molmil-images/mine/2exd) | The solution structure of the C-terminal domain of a nfeD homolog from Pyrococcus horikoshii | 分子名称: | nfeD short homolog | 著者 | Kuwahara, Y, Ohno, A, Morii, T, Tochio, H, Shirakawa, M, Hiroaki, H. | 登録日 | 2005-11-08 | 公開日 | 2006-12-12 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structure of the C-terminal domain of NfeD reveals a novel membrane-anchored OB-fold. Protein Sci., 17, 2008
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2ROG
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![BU of 2rog by Molmil](/molmil-images/mine/2rog) | Solution structure of Thermus thermophilus HB8 TTHA1718 protein in living E. coli cells | 分子名称: | Heavy metal binding protein | 著者 | Sakakibara, D, Sasaki, A, Ikeya, T, Hamatsu, J, Koyama, H, Mishima, M, Mikawa, T, Waelchli, M, Smith, B.O, Shirakawa, M, Guentert, P, Ito, Y. | 登録日 | 2008-03-21 | 公開日 | 2009-03-03 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Protein structure determination in living cells by in-cell NMR spectroscopy Nature, 458, 2009
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