Author results

3WYX
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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:Dual specificity protein kinase TTK, IODIDE ION, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile
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
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., 2015
3WYY
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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:Dual specificity protein kinase TTK, (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
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:2017-11-22
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., 2015
3WZJ
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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:Dual specificity protein kinase TTK, 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide
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:2017-11-22
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., 2015
3WZK
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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:Dual specificity protein kinase TTK, CHLORIDE ION, 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
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., 2015
3VQU
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2- YL)AMINO]BENZAMIDE
Descriptor:Dual specificity protein kinase TTK, IODIDE ION, 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide
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
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., 2012
5Y25
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EGFR KINASE DOMAIN MUTANT (T790M/L858R) WITH COVALENT LIGAND NS-062
Descriptor:Epidermal growth factor receptor, (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide
Authors:Shiroishi, M., Abe, Y., Caaveiro, J.M.M., Sakamoto, S., Morimoto, S., Fuchida, H., Shindo, N., Ojida, A.
Deposit date:2017-07-24
Release date:2018-07-25
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062
To Be Published
3W1F
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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:Dual specificity protein kinase TTK, 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide
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:2014-04-30
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
1WTG
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HUMAN FACTOR VIIA-TISSUE FACTOR COMPLEXED WITH ETHYLSULFONAMIDE-D-BIPHENYLALANINE-GLN-P-AMINOBENZAMIDINE
Descriptor:Coagulation factor VII, Tissue factor, BETA-D-GLUCOSE, ...
Authors:Kadono, S., Sakamoto, S., Kikuchi, Y., Oh-Eda, M., Yabuta, N., Kitazawa, K., Yoshihashi, T., Suzuki, T., Koga, T., Hattori, K., Shiraishi, T., Kodama, M., Haramura, H., Ono, Y., Esaki, T., Sato, H., Watanabe, Y., Itoh, S., Ohta, M., Kozono, T.
Deposit date:2004-11-23
Release date:2005-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 326, 2005
3W1W
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PROTEIN-DRUG COMPLEX
Descriptor:Ferrochelatase, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Ishii, R., Gupta, V., Yamaguchi, Y., Handa, H., Nureki, O.
Deposit date:2012-11-21
Release date:2013-10-09
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Salicylic Acid induces mitochondrial injury by inhibiting ferrochelatase heme biosynthesis activity
Mol.Pharmacol., 84, 2013
2DGJ
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CRYSTAL STRUCTURE OF EBHA (756-1003 DOMAIN) FROM STAPHYLOCOCCUS AUREUS
Descriptor:hypothetical protein ebhA, SULFATE ION, ACETIC ACID, ...
Authors:Tanaka, Y., Yao, M., Kuroda, M., Watanabe, N., Ohta, T., Tanaka, I.
Deposit date:2006-03-14
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A helical string of alternately connected three-helix bundles for the cell wall-associated adhesion protein Ebh from Staphylococcus aureus
Structure, 16, 2008
5YIZ
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MOUSE CEREBLON THALIDOMIDE BINDING DOMAIN COMPLEXED WITH RACEMIC THALIDOMIDE
Descriptor:Protein cereblon, S-Thalidomide, ZINC ION, ...
Authors:Mori, T., Hakoshima, T.
Deposit date:2017-10-06
Release date:2018-02-07
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of thalidomide enantiomer binding to cereblon
Sci Rep, 8, 2018
5YJ0
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MOUSE CEREBLON THALIDOMIDE BINDING DOMAIN COMPLEXED WITH S-FORM THALIDOMIDE
Descriptor:Protein cereblon, S-Thalidomide, ZINC ION, ...
Authors:Mori, T., Hakoshima, T.
Deposit date:2017-10-06
Release date:2018-02-07
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of thalidomide enantiomer binding to cereblon
Sci Rep, 8, 2018
5YJ1
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MOUSE CEREBLON THALIDOMIDE BINDING DOMAIN COMPLEXED WITH R-FORM THALIDOMIDE
Descriptor:Protein cereblon, 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione, ZINC ION, ...
Authors:Mori, T., Hakoshima, T.
Deposit date:2017-10-06
Release date:2018-02-07
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of thalidomide enantiomer binding to cereblon
Sci Rep, 8, 2018