1BGI
| ORTHORHOMBIC LYSOZYME CRYSTALLIZED AT HIGH TEMPERATURE (310K) | Descriptor: | CHLORIDE ION, LYSOZYME | Authors: | Oki, H, Matsuura, Y, Komatsu, H, Chernov, A.A. | Deposit date: | 1998-05-28 | Release date: | 1998-10-28 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Refined structure of orthorhombic lysozyme crystallized at high temperature: correlation between morphology and intermolecular contacts. Acta Crystallogr.,Sect.D, 55, 1999
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7W64
| Crystal structure of minor pilin TcpB from Vibrio cholerae complexed with N-terminal peptide fragment of TcpF | Descriptor: | CALCIUM ION, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S. | Deposit date: | 2021-12-01 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor. Sci Adv, 8, 2022
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7W65
| Crystal structure of minor pilin TcpB from Vibrio cholerae complexed with secreted protein TcpF | Descriptor: | Toxin coregulated pilus biosynthesis protein F, Toxin-coregulated pilus biosynthesis protein B | Authors: | Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S. | Deposit date: | 2021-12-01 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.05 Å) | Cite: | Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor. Sci Adv, 8, 2022
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7W63
| Crystal structure of minor pilin TcpB from Vibrio cholerae | Descriptor: | SULFATE ION, Toxin-coregulated pilus biosynthesis protein B | Authors: | Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S. | Deposit date: | 2021-12-01 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor. Sci Adv, 8, 2022
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5YQ0
| Crystal structure of secreted protein CofJ from ETEC. | Descriptor: | CALCIUM ION, CofJ | Authors: | Oki, H, Kawahara, K, Maruno, T, Imai, T, Muroga, Y, Fukakusa, S, Iwashita, T, Kobayashi, Y, Matsuda, S, Kodama, T, Iida, T, Yoshida, T, Ohkubo, T, Nakamura, S. | Deposit date: | 2017-11-04 | Release date: | 2018-06-27 | Last modified: | 2018-07-25 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Interplay of a secreted protein with type IVb pilus for efficient enterotoxigenicEscherichia colicolonization Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YPZ
| Crystal structure of minor pilin CofB from CFA/III complexed with N-terminal peptide fragment of CofJ | Descriptor: | CofB, CofJ | Authors: | Oki, H, Kawahara, K, Maruno, T, Imai, T, Muroga, Y, Fukakusa, S, Iwashita, T, Kobayashi, Y, Matsuda, S, Kodama, T, Iida, T, Yoshida, T, Ohkubo, T, Nakamura, S. | Deposit date: | 2017-11-04 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.521 Å) | Cite: | Interplay of a secreted protein with type IVb pilus for efficient enterotoxigenicEscherichia colicolonization. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1A13
| G PROTEIN-BOUND CONFORMATION OF MASTOPARAN-X, NMR, 14 STRUCTURES | Descriptor: | MASTOPARAN-X | Authors: | Kusunoki, H, Wakamatsu, K, Sato, K, Miyazawa, T, Kohno, T. | Deposit date: | 1997-12-20 | Release date: | 1999-01-13 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | G protein-bound conformation of mastoparan-X: heteronuclear multidimensional transferred nuclear overhauser effect analysis of peptide uniformly enriched with 13C and 15N. Biochemistry, 37, 1998
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2RQ5
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2RQ1
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1U5P
| Crystal Structure of Repeats 15 and 16 of Chicken Brain Alpha Spectrin | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Spectrin alpha chain, ... | Authors: | Kusunoki, H, Minasov, G, MacDonald, R.I, Mondragon, A. | Deposit date: | 2004-07-28 | Release date: | 2004-10-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Independent Movement, Dimerization and Stability of Tandem Repeats of Chicken Brain alpha-Spectrin J.Mol.Biol., 344, 2004
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1U4Q
| Crystal Structure of Repeats 15, 16 and 17 of Chicken Brain Alpha Spectrin | Descriptor: | Spectrin alpha chain, brain | Authors: | Kusunoki, H, Minasov, G, MacDonald, R.I, Mondragon, A. | Deposit date: | 2004-07-26 | Release date: | 2004-10-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Independent Movement, Dimerization and Stability of Tandem Repeats of Chicken Brain alpha-Spectrin J.Mol.Biol., 344, 2004
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1S35
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2EJY
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2EV8
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1K1V
| Solution Structure of the DNA-Binding Domain of MafG | Descriptor: | MafG | Authors: | Kusunoki, H, Motohashi, H, Katsuoka, F, Morohashi, A, Yamamoto, M, Tanaka, T. | Deposit date: | 2001-09-25 | Release date: | 2002-04-10 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the DNA-binding domain of MafG. Nat.Struct.Biol., 9, 2002
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5XKM
| Crystal structure of human phosphodiesterase 2A in complex with 6-methyl-N-(1-(4-(trifluoromethoxy)phenyl)propyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Descriptor: | 6-methyl-N-[(1R)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Kondo, M, Snell, G, Lane, W. | Deposit date: | 2017-05-08 | Release date: | 2017-08-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders. J. Med. Chem., 60, 2017
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7XW8
| Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct | Descriptor: | GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ... | Authors: | Oki, H. | Deposit date: | 2022-05-26 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects. Eur.J.Med.Chem., 239, 2022
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3WV2
| Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide | Descriptor: | CALCIUM ION, Collagenase 3, N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2014-05-12 | Release date: | 2014-09-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site. Bioorg.Med.Chem., 22, 2014
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3WV3
| Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2014-05-12 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site. Bioorg.Med.Chem., 22, 2014
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3WV1
| Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid | Descriptor: | 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2014-05-12 | Release date: | 2015-05-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach J.Med.Chem., 57, 2014
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5AXP
| Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | Descriptor: | 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Zama, Y. | Deposit date: | 2015-07-31 | Release date: | 2015-11-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor Bioorg.Med.Chem., 23, 2015
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5B4O
| Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14 | Descriptor: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ... | Authors: | Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N. | Deposit date: | 2016-04-07 | Release date: | 2016-04-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression Chem. Biol., 17, 2010
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5B5O
| Crystal structure of the catalytic domain of MMP-13 complexed with N-phenyl-4-((4H-1,2,4-triazol-3-ylsulfanyl)methyl)-1,3-thiazol-2-amine | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2016-05-13 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach J. Med. Chem., 60, 2017
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5AXQ
| Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold | Descriptor: | 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one, 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ... | Authors: | Oki, H, Zama, Y. | Deposit date: | 2015-07-31 | Release date: | 2015-11-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor Bioorg.Med.Chem., 23, 2015
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5B5P
| Crystal structure of the catalytic domain of MMP-13 complexed with 4-oxo-N-(3-(2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy)benzyl)-3,4-dihydroquinazoline-2-carboxamide | Descriptor: | 4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide, CALCIUM ION, Collagenase 3, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2016-05-13 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach J. Med. Chem., 60, 2017
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