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 | | Descriptor: | (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 | | Authors: | 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. | | Deposit date: | 2014-09-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | 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
 | | 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 | | Descriptor: | 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK | | Authors: | 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. | | Deposit date: | 2014-09-29 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 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
 | | 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 | | Descriptor: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION | | Authors: | 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. | | Deposit date: | 2014-09-09 | | Release date: | 2015-04-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | 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
 | | 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 | | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | | Authors: | 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. | | Deposit date: | 2014-09-29 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
 | | Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate | | Descriptor: | AlgM1, AlgM2, AlgS | | Authors: | Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2014-06-12 | | Release date: | 2015-07-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (4.504 Å) | | Cite: | Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
Structure, 23, 2015
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4TQU
 | | Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate | | Descriptor: | 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, ... | | Authors: | Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2014-06-12 | | Release date: | 2015-07-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.204 Å) | | Cite: | Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
Structure, 23, 2015
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5H1E
 | | Interaction between vitamin D receptor and coactivator peptide SRC2-3 | | Descriptor: | 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 | | Authors: | Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity
Bioorg. Med. Chem., 25, 2017
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3KSC
 | | Crystal structure of pea prolegumin, an 11S seed globulin from Pisum sativum L. | | Descriptor: | GLYCEROL, LegA class, SULFATE ION | | Authors: | Tandang-Silvas, M.R.G, Fukuda, T, Fukuda, C, Prak, K, Cabanos, C, Kimura, A, Itoh, T, Mikami, B, Maruyama, N, Utsumi, S. | | Deposit date: | 2009-11-21 | | Release date: | 2010-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.606 Å) | | Cite: | Conservation and divergence on plant seed 11S globulins based on crystal structures.
Biochim.Biophys.Acta, 1804, 2010
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6IQ5
 | | Crystal Structure of CYP1B1 and Inhibitor Having Azide Group | | Descriptor: | 2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kubo, M, Yamamoto, K, Itoh, T. | | Deposit date: | 2018-11-06 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Design and synthesis of selective CYP1B1 inhibitor via dearomatization of alpha-naphthoflavone.
Bioorg. Med. Chem., 27, 2019
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6JEY
 | | Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD | | Descriptor: | (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Kojima, H, Yamamoto, K, Itoh, T. | | Deposit date: | 2019-02-07 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
 | | hPPARgamma Ligand binding domain in complex with 5-oxo-tricosahexaenoic acid | | Descriptor: | (7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Egawa, D, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-11-18 | | Release date: | 2015-04-08 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids.
Bioconjug.Chem., 26, 2015
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3X1I
 | | hPPARgamma Ligand binding domain in complex with 6-oxo-tetracosahexaenoic acid | | Descriptor: | (8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Egawa, D, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-11-18 | | Release date: | 2015-04-08 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids.
Bioconjug.Chem., 26, 2015
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3K3T
 | | E185A mutant of peptidoglycan hydrolase from Sphingomonas sp. A1 | | Descriptor: | Peptidoglycan hydrolase FlgJ, SULFATE ION | | Authors: | Maruyama, Y, Ochiai, A, Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2009-10-04 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Mutational studies of the peptidoglycan hydrolase FlgJ of Sphingomonas sp. strain A1
J.Basic Microbiol., 50, 2010
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5AYJ
 | | Hyperthermostable mutant of Bacillus sp. TB-90 Urate Oxidase - R298C | | Descriptor: | 9-METHYL URIC ACID, HEXAETHYLENE GLYCOL, SULFATE ION, ... | | Authors: | Hibi, T, Kume, A, Kawamura, A, Itoh, T, Nishiya, Y. | | Deposit date: | 2015-08-21 | | Release date: | 2016-01-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 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
 | | The structure of the carboxy-terminal domain of DNTTIP1 | | Descriptor: | Deoxynucleotidyltransferase terminal-interacting protein 1 | | Authors: | Schwabe, J.W.R, Muskett, F.W, Itoh, T. | | Deposit date: | 2014-11-11 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural and functional characterization of a cell cycle associated HDAC1/2 complex reveals the structural basis for complex assembly and nucleosome targeting.
Nucleic Acids Res., 43, 2015
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7CMQ
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7WOX
 | | PPARgamma antagonist (MMT-160)- PPARgamma LBD complex | | Descriptor: | N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Yoshizawa, M, Aoyama, T, Itoh, T, Miyachi, H. | | Deposit date: | 2022-01-22 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | 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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