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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1X03
 | | Crystal structure of endophilin BAR domain | | Descriptor: | SH3-containing GRB2-like protein 2 | | Authors: | Masuda, M, Takeda, S, Sone, M, Kamioka, Y, Mori, H, Mochizuki, N. | | Deposit date: | 2005-03-14 | | Release date: | 2006-05-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Endophilin BAR domain drives membrane curvature by two newly identified structure-based mechanisms
Embo J., 25, 2006
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1Z9Q
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5XJE
 | | Crystal structure of fucosylated IgG1 Fc complexed with bis-glycosylated soluble form of Fc gamma receptor IIIa | | Descriptor: | CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, Low affinity immunoglobulin gamma Fc region receptor III-A, ... | | Authors: | Sakae, Y, Satoh, T, Yagi, H, Yanaka, S, Yamaguchi, T, Isoda, Y, Iida, S, Okamoto, Y, Kato, K. | | Deposit date: | 2017-05-01 | | Release date: | 2017-11-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational effects of N-glycan core fucosylation of immunoglobulin G Fc region on its interaction with Fc gamma receptor IIIa.
Sci Rep, 7, 2017
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6IMF
 | | Crystal structure of TOXIN/ANTITOXIN complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cysteine-rich venom protein triflin, GLYCEROL, ... | | Authors: | Shioi, N, Tadokoro, T, Shioi, S, Hu, Y, Kurahara, L.H, Okabe, Y, Matsubara, H, Kita, S, Ose, T, Kuroki, K, Maenaka, K, Terada, S. | | Deposit date: | 2018-10-22 | | Release date: | 2018-12-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the complex between venom toxin and serum inhibitor from Viperidae snake.
J. Biol. Chem., 294, 2019
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5XJF
 | | Crystal structure of fucosylated IgG Fc Y296W mutant complexed with bis-glycosylated soluble form of Fc gamma receptor IIIa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Sakae, Y, Satoh, T, Yagi, H, Yanaka, S, Yamaguchi, T, Isoda, Y, Iida, S, Okamoto, Y, Kato, K. | | Deposit date: | 2017-05-01 | | Release date: | 2017-11-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformational effects of N-glycan core fucosylation of immunoglobulin G Fc region on its interaction with Fc gamma receptor IIIa.
Sci Rep, 7, 2017
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1X04
 | | Crystal structure of endophilin BAR domain (mutant) | | Descriptor: | SH3-containing GRB2-like protein 2 | | Authors: | Masuda, M, Takeda, S, Sone, M, Kamioka, Y, Mori, H, Mochizuki, N. | | Deposit date: | 2005-03-14 | | Release date: | 2006-05-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Endophilin BAR domain drives membrane curvature by two newly identified structure-based mechanisms
Embo J., 25, 2006
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1UEC
 | | Crystal structure of autoinhibited form of tandem SH3 domain of p47phox | | Descriptor: | Neutrophil cytosol factor 1 | | Authors: | Yuzawa, S, Suzuki, N.N, Fujioka, Y, Ogura, K, Sumimoto, H, Inagaki, F. | | Deposit date: | 2003-05-11 | | Release date: | 2003-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A molecular mechanism for autoinhibition of the tandem SH3 domains of p47phox, the regulatory subunit of the phagocyte NADPH oxidase
Genes Cells, 9, 2004
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5B5V
 | | Structure of full-length MOB1b | | Descriptor: | CHLORIDE ION, MOB kinase activator 1B, ZINC ION | | Authors: | KIM, S.-Y, Tachioka, Y, Mori, T, Hakoshima, T. | | Deposit date: | 2016-05-24 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.193 Å) | | Cite: | Structural basis for autoinhibition and its relief of MOB1 in the Hippo pathway
Sci Rep, 6, 2016
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5B5W
 | | Crystal structure of MOB1-LATS1 NTR domain complex | | Descriptor: | MOB kinase activator 1B, Serine/threonine-protein kinase LATS1, ZINC ION | | Authors: | KIM, S.-Y, Tachioka, Y, Mori, T, Hakoshima, T. | | Deposit date: | 2016-05-24 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.957 Å) | | Cite: | Structural basis for autoinhibition and its relief of MOB1 in the Hippo pathway
Sci Rep, 6, 2016
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5B6B
 | | Complex of LATS1 and phosphomimetic MOB1b | | Descriptor: | CHLORIDE ION, MOB kinase activator 1B, Serine/threonine-protein kinase LATS1, ... | | Authors: | KIM, S.-Y, Tachioka, Y, Mori, T, Hakoshima, T. | | Deposit date: | 2016-05-26 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.536 Å) | | Cite: | Structural basis for autoinhibition and its relief of MOB1 in the Hippo pathway
Sci Rep, 6, 2016
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7D36
 | | Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Nakahara, K, Mitsuoka, Y, Kasuya, S, Yamamoto, T, Yamamoto, S, Ito, H, Kido, Y, Kusakabe, K.I. | | Deposit date: | 2020-09-18 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction.
Eur.J.Med.Chem., 216, 2021
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5YLT
 | | Crystal structure of SET7/9 in complex with a cyproheptadine derivative | | Descriptor: | 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H. | | Deposit date: | 2017-10-19 | | Release date: | 2018-06-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine.
ChemMedChem, 13, 2018
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3W1F
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | Descriptor: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-11-14 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
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5Z9W
 | | Ebola virus nucleoprotein-RNA complex | | Descriptor: | Ebolavirus nucleoprotein (residues 19-406), RNA (6-MER) | | Authors: | Sugita, Y, Matsunami, H, Kawaoka, Y, Noda, T, Wolf, M. | | Deposit date: | 2018-02-05 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of the Ebola virus nucleoprotein-RNA complex at 3.6 angstrom resolution.
Nature, 563, 2018
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3AGT
 | | Hemerythrin-like domain of DcrH (met) | | Descriptor: | CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH | | Authors: | Onoda, A, Okamoto, Y, Sugimoto, H, Mizohata, E, Inoue, T, Shiro, Y, Hayashi, T. | | Deposit date: | 2010-04-06 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Characteristics of Diiron Site with Large Cavity in Hemerythrin-like Domain of DcrH
to be published
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3AGU
 | | Hemerythrin-like domain of DcrH (semimet-R) | | Descriptor: | CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH | | Authors: | Onoda, A, Okamoto, Y, Sugimoto, H, Mizohata, E, Inoue, T, Shiro, Y, Hayashi, T. | | Deposit date: | 2010-04-06 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Characteristics of Diiron Site with Large Cavity in Hemerythrin-like Domain of DcrH
to be published
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3VQU
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | | Descriptor: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-03-30 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
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2D33
 | | Crystal Structure of gamma-Glutamylcysteine Synthetase Complexed with Aluminum Fluoride | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CYSTEINE, ... | | Authors: | Hibi, T, Nakayama, M, Nii, H, Kurokawa, Y, Katano, H, Oda, J. | | Deposit date: | 2005-09-25 | | Release date: | 2006-11-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of efficient coupling between peptide ligation and ATP hydrolysis by gamma-gluatamylcysteine synthetase
To be Published
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2D32
 | | Crystal Structure of Michaelis Complex of gamma-Glutamylcysteine Synthetase | | Descriptor: | CYSTEINE, GLUTAMIC ACID, Glutamate--cysteine ligase, ... | | Authors: | Hibi, T, Nakayama, M, Nii, H, Kurokawa, Y, Katano, H, Oda, J. | | Deposit date: | 2005-09-25 | | Release date: | 2006-11-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of efficient coupling peptide ligation and ATP hydrolysis by gamma-gluatamylcysteine synthetase
To be Published
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2CZO
 | | Solution Structure of the PX Domain of Bem1p | | Descriptor: | Bud emergence protein 1 | | Authors: | Maeda, A, Ogura, K, Horiuchi, M, Kumeta, H, Fujioka, Y, Inagaki, F. | | Deposit date: | 2005-07-14 | | Release date: | 2006-10-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the PX domain of Bem1p
To be Published
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3WKV
 | | Voltage-gated proton channel: VSOP/Hv1 chimeric channel | | Descriptor: | Ion channel | | Authors: | Takeshita, K, Sakata, S, Yamashita, E, Fujiwara, Y, Kawanabe, A, Kurokawa, T, Okochi, Y, Matsuda, M, Narita, H, Okamura, Y, Nakagawa, A. | | Deposit date: | 2013-10-31 | | Release date: | 2014-03-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.453 Å) | | Cite: | X-ray crystal structure of voltage-gated proton channel.
Nat.Struct.Mol.Biol., 21, 2014
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