7W64
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![BU of 7w64 by Molmil](/molmil-images/mine/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
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![BU of 7w65 by Molmil](/molmil-images/mine/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
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![BU of 7w63 by Molmil](/molmil-images/mine/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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1BGI
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![BU of 1bgi by Molmil](/molmil-images/mine/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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5YQ0
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![BU of 5yq0 by Molmil](/molmil-images/mine/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
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![BU of 5ypz by Molmil](/molmil-images/mine/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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2RQ1
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![BU of 2rq1 by Molmil](/molmil-images/mine/2rq1) | |
2RQ5
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1S35
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![BU of 1s35 by Molmil](/molmil-images/mine/1s35) | |
1U4Q
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![BU of 1u4q by Molmil](/molmil-images/mine/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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1U5P
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![BU of 1u5p by Molmil](/molmil-images/mine/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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1K1V
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![BU of 1k1v by Molmil](/molmil-images/mine/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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1A13
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![BU of 1a13 by Molmil](/molmil-images/mine/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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2EJY
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2EV8
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3VO3
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![BU of 3vo3 by Molmil](/molmil-images/mine/3vo3) | Crystal Structure of the Kinase domain of Human VEGFR2 with imidazo[1,2-b]pyridazine derivative | Descriptor: | 1,2-ETHANEDIOL, N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Oki, H, Okada, K. | Deposit date: | 2012-01-19 | Release date: | 2013-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor Bioorg.Med.Chem., 21, 2013
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3VNT
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![BU of 3vnt by Molmil](/molmil-images/mine/3vnt) | Crystal Structure of the Kinase domain of Human VEGFR2 with a [1,3]thiazolo[5,4-b]pyridine derivative | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Vascular endothelial growth factor receptor 2 | Authors: | Oki, H. | Deposit date: | 2012-01-17 | Release date: | 2012-04-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds J.Med.Chem., 55, 2012
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7E0G
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7XW8
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![BU of 7xw8 by Molmil](/molmil-images/mine/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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5B5O
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![BU of 5b5o by Molmil](/molmil-images/mine/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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5B5P
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![BU of 5b5p by Molmil](/molmil-images/mine/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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5AXQ
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![BU of 5axq by Molmil](/molmil-images/mine/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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5AXP
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![BU of 5axp by Molmil](/molmil-images/mine/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
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![BU of 5b4o by Molmil](/molmil-images/mine/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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5B4L
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![BU of 5b4l by Molmil](/molmil-images/mine/5b4l) | Crystal structure of the catalytic domain of human PDE10A complexed with 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | Descriptor: | 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Zama, Y. | Deposit date: | 2016-04-05 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket Bioorg.Med.Chem., 24, 2016
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