3WYY
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![BU of 3wyy by Molmil](/molmil-images/mine/3wyy) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide | 分子名称: | (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y. | 登録日 | 2014-09-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity. Bioorg.Med.Chem., 23, 2015
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3WZJ
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![BU of 3wzj by Molmil](/molmil-images/mine/3wzj) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide | 分子名称: | 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | 登録日 | 2014-09-29 | 公開日 | 2015-02-11 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. J.Med.Chem., 58, 2015
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3WYX
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![BU of 3wyx by Molmil](/molmil-images/mine/3wyx) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile | 分子名称: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | 登録日 | 2014-09-09 | 公開日 | 2015-04-08 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity. Bioorg.Med.Chem., 23, 2015
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3WZK
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![BU of 3wzk by Molmil](/molmil-images/mine/3wzk) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide | 分子名称: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | 登録日 | 2014-09-29 | 公開日 | 2015-02-11 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. J.Med.Chem., 58, 2015
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4TQV
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![BU of 4tqv by Molmil](/molmil-images/mine/4tqv) | Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate | 分子名称: | AlgM1, AlgM2, AlgS | 著者 | Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K. | 登録日 | 2014-06-12 | 公開日 | 2015-07-22 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (4.504 Å) | 主引用文献 | Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate Structure, 23, 2015
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4TQU
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![BU of 4tqu by Molmil](/molmil-images/mine/4tqu) | Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate | 分子名称: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, AlgM1, AlgM2, ... | 著者 | Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K. | 登録日 | 2014-06-12 | 公開日 | 2015-07-22 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.204 Å) | 主引用文献 | Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate Structure, 23, 2015
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5H1E
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![BU of 5h1e by Molmil](/molmil-images/mine/5h1e) | Interaction between vitamin D receptor and coactivator peptide SRC2-3 | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor | 著者 | Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K. | 登録日 | 2016-10-08 | 公開日 | 2017-01-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity Bioorg. Med. Chem., 25, 2017
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3KSC
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![BU of 3ksc by Molmil](/molmil-images/mine/3ksc) | Crystal structure of pea prolegumin, an 11S seed globulin from Pisum sativum L. | 分子名称: | GLYCEROL, LegA class, SULFATE ION | 著者 | Tandang-Silvas, M.R.G, Fukuda, T, Fukuda, C, Prak, K, Cabanos, C, Kimura, A, Itoh, T, Mikami, B, Maruyama, N, Utsumi, S. | 登録日 | 2009-11-21 | 公開日 | 2010-04-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.606 Å) | 主引用文献 | Conservation and divergence on plant seed 11S globulins based on crystal structures. Biochim.Biophys.Acta, 1804, 2010
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6IQ5
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![BU of 6iq5 by Molmil](/molmil-images/mine/6iq5) | Crystal Structure of CYP1B1 and Inhibitor Having Azide Group | 分子名称: | 2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Kubo, M, Yamamoto, K, Itoh, T. | 登録日 | 2018-11-06 | 公開日 | 2019-01-30 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Design and synthesis of selective CYP1B1 inhibitor via dearomatization of alpha-naphthoflavone. Bioorg. Med. Chem., 27, 2019
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6JEY
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![BU of 6jey by Molmil](/molmil-images/mine/6jey) | Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD | 分子名称: | (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Kojima, H, Yamamoto, K, Itoh, T. | 登録日 | 2019-02-07 | 公開日 | 2020-02-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
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8HHP
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8HHQ
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3X1H
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![BU of 3x1h by Molmil](/molmil-images/mine/3x1h) | hPPARgamma Ligand binding domain in complex with 5-oxo-tricosahexaenoic acid | 分子名称: | (7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Egawa, D, Itoh, T, Yamamoto, K. | 登録日 | 2014-11-18 | 公開日 | 2015-04-08 | 最終更新日 | 2022-08-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids. Bioconjug.Chem., 26, 2015
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3X1I
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![BU of 3x1i by Molmil](/molmil-images/mine/3x1i) | hPPARgamma Ligand binding domain in complex with 6-oxo-tetracosahexaenoic acid | 分子名称: | (8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Egawa, D, Itoh, T, Yamamoto, K. | 登録日 | 2014-11-18 | 公開日 | 2015-04-08 | 最終更新日 | 2022-08-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids. Bioconjug.Chem., 26, 2015
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3K3T
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![BU of 3k3t by Molmil](/molmil-images/mine/3k3t) | E185A mutant of peptidoglycan hydrolase from Sphingomonas sp. A1 | 分子名称: | Peptidoglycan hydrolase FlgJ, SULFATE ION | 著者 | Maruyama, Y, Ochiai, A, Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | 登録日 | 2009-10-04 | 公開日 | 2010-07-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Mutational studies of the peptidoglycan hydrolase FlgJ of Sphingomonas sp. strain A1 J.Basic Microbiol., 50, 2010
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5AYJ
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![BU of 5ayj by Molmil](/molmil-images/mine/5ayj) | Hyperthermostable mutant of Bacillus sp. TB-90 Urate Oxidase - R298C | 分子名称: | 9-METHYL URIC ACID, HEXAETHYLENE GLYCOL, SULFATE ION, ... | 著者 | Hibi, T, Kume, A, Kawamura, A, Itoh, T, Nishiya, Y. | 登録日 | 2015-08-21 | 公開日 | 2016-01-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Hyperstabilization of Tetrameric Bacillus sp. TB-90 Urate Oxidase by Introducing Disulfide Bonds through Structural Plasticity Biochemistry, 55, 2016
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5YJA
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5Z2B
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5Z27
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5YJ2
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2MWI
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7CMQ
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![BU of 7cmq by Molmil](/molmil-images/mine/7cmq) | |
7WOX
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![BU of 7wox by Molmil](/molmil-images/mine/7wox) | PPARgamma antagonist (MMT-160)- PPARgamma LBD complex | 分子名称: | N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide, Peroxisome proliferator-activated receptor gamma | 著者 | Yoshizawa, M, Aoyama, T, Itoh, T, Miyachi, H. | 登録日 | 2022-01-22 | 公開日 | 2022-04-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Arylalkynyl amide-type peroxisome proliferator-activated receptor gamma (PPAR gamma )-selective antagonists covalently bind to the PPAR gamma ligand binding domain with a unique binding mode. Bioorg.Med.Chem.Lett., 64, 2022
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7CMN
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7CUF
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