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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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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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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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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6ITD
| Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid | Descriptor: | 3-(1-AMINOETHYL)NONANEDIOIC ACID, Slr0355 protein | Authors: | Sakaki, K, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2018-11-21 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria. Nat.Chem.Biol., 16, 2020
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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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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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6IR4
| Crystal structure of BioU from Synechocystis sp.PCC6803 (apo form) | Descriptor: | Slr0355 protein | Authors: | Sakaki, K, Oishi, K, Shimizu, T, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2018-11-10 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria. Nat.Chem.Biol., 16, 2020
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6K36
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6K38
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6K37
| Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with NAD+ and the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid | Descriptor: | (3R)-3-[(1R)-1-azanylethyl]nonanedioic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Slr0355 protein | Authors: | Sakaki, K, Tomita, T, Nishiyama, M. | Deposit date: | 2019-05-16 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria. Nat.Chem.Biol., 16, 2020
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7WM4
| Cryo-EM structure of tetrameric TLR3 in complex with dsRNA (90 bp) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RNA (81-MER), ... | Authors: | Sakaniwa, K, Ohto, U, Shimizu, T. | Deposit date: | 2022-01-14 | Release date: | 2023-01-25 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | TLR3 forms a laterally aligned multimeric complex along double-stranded RNA for efficient signal transduction. Nat Commun, 14, 2023
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2ZOP
| X-ray crystal structure of a CRISPR-associated Cmr5 family protein from Thermus thermophilus HB8 | Descriptor: | Putative uncharacterized protein TTHB164, SULFATE ION | Authors: | Sakamoto, K, Agari, Y, Shinkai, A, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-05-28 | Release date: | 2009-02-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray crystal structure of a CRISPR-associated RAMP superfamily protein, Cmr5, from Thermus thermophilus HB8 Proteins, 75, 2009
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3AAI
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2EO8
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2DDX
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8WX3
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8WX4
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7CRF
| Crystal structure of human TLR8 in complex with CU-CPD107 | Descriptor: | 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Sakaniwa, K, Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2020-08-13 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Tetrasubstituted imidazoles as incognito Toll-like receptor 8 a(nta)gonists. Nat Commun, 12, 2021
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3VPL
| Crystal structure of a 2-fluoroxylotriosyl complex of the Vibrio sp. AX-4 Beta-1,3-xylanase | Descriptor: | 3,4-dinitrophenol, Beta-1,3-xylanase XYL4, beta-D-xylopyranose-(1-3)-beta-D-xylopyranose-(1-3)-2-deoxy-2-fluoro-beta-D-xylopyranose, ... | Authors: | Watanabe, N, Sakaguchi, K. | Deposit date: | 2012-03-05 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The crystal structure of a 2-fluoroxylotriosyl complex of the Vibrio sp. AX-4 beta-1,3-xylanase at 1.2 A resolution To be Published
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1JU8
| Solution structure of Leginsulin, a plant hormon | Descriptor: | Leginsulin | Authors: | Yamazaki, T, Takaoka, M, Katoh, E, Hanada, K, Sakita, M, Sakata, K, Nishiuchi, Y, Hirano, H. | Deposit date: | 2001-08-23 | Release date: | 2003-06-17 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | A possible physiological function and the tertiary structure of a 4-kDa peptide in legumes EUR.J.BIOCHEM., 270, 2003
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3X2O
| Neutron and X-ray joint refined structure of PcCel45A apo form at 298K. | Descriptor: | Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2019-12-18 | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3X2P
| Neutron and X-ray joint refined structure of PcCel45A with cellopentaose at 298K. | Descriptor: | Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | NEUTRON DIFFRACTION (1.518 Å), X-RAY DIFFRACTION | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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2J53
| Solution Structure of GB1 domain Protein G and low and high pressure. | Descriptor: | IMMUNOGLOBULIN G-BINDING PROTEIN G | Authors: | Wilton, D.J, Tunnicliffe, R.B, Kamatari, Y.O, Akasaka, K, Williamson, M.P. | Deposit date: | 2006-09-11 | Release date: | 2007-09-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Pressure-Induced Changes in the Solution Structure of the Gb1 Domain of Protein G. Proteins, 71, 2008
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4WR5
| Crystal Structure of GST Mutated with Halogenated Tyrosine (7cGST-1) | Descriptor: | GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, SULFATE ION | Authors: | Akasaka, R, Kawazoe, M, Tomabechi, Y, Ohtake, K, Itagaki, T, Takemoto, C, Shirouzu, M, Yokoyama, S, Sakamoto, K. | Deposit date: | 2014-10-23 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Protein stabilization utilizing a redefined codon Sci Rep, 5, 2015
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