4EBW
 
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | | 分子名称: | 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1 | | 著者 | Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H. | | 登録日 | 2012-03-25 | | 公開日 | 2012-07-25 | | 最終更新日 | 2013-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
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1NQJ
 | | CRYSTAL STRUCTURE OF CLOSTRIDIUM HISTOLYTICUM COLG COLLAGENASE COLLAGEN-BINDING DOMAIN 3B AT 1.0 ANGSTROM RESOLUTION IN ABSENCE OF CALCIUM | | 分子名称: | CHLORIDE ION, LITHIUM ION, class 1 collagenase | | 著者 | Wilson, J.J, Matsushita, O, Okabe, A, Sakon, J. | | 登録日 | 2003-01-21 | | 公開日 | 2003-04-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | A bacterial collagen-binding domain with novel calcium-binding motif
controls domain orientation
Embo J., 22, 2003
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1NQD
 | | CRYSTAL STRUCTURE OF CLOSTRIDIUM HISTOLYTICUM COLG COLLAGENASE COLLAGEN-BINDING DOMAIN 3B AT 1.65 ANGSTROM RESOLUTION IN PRESENCE OF CALCIUM | | 分子名称: | CALCIUM ION, class 1 collagenase | | 著者 | Wilson, J.J, Matsushita, O, Okabe, A, Sakon, J. | | 登録日 | 2003-01-21 | | 公開日 | 2003-04-15 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A Bacterial Collagen-Binding Domain with Novel Calcium-Binding Motif Controls Domain Orientation
Embo J., 22, 2003
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6OVA
 | | Crystal Structure of TYK2 with novel pyrrolidinone inhibitor | | 分子名称: | 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | 著者 | Skene, R.J, Hoffman, I.D. | | 登録日 | 2019-05-07 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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4I4F
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding pyrazolobenzothiazine compound. | | 分子名称: | Focal adhesion kinase 1, ISOPROPYL ALCOHOL, N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide | | 著者 | Skene, R.J, Hosfield, D.J. | | 登録日 | 2012-11-27 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
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4EBV
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | | 分子名称: | 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1, ISOPROPYL ALCOHOL | | 著者 | Skene, R.J, Hosfield, D.J. | | 登録日 | 2012-03-25 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
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4I4E
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound. | | 分子名称: | Focal adhesion kinase 1, [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone | | 著者 | Skene, R.J, Hosfield, D.J. | | 登録日 | 2012-11-27 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
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5F20
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5F1Z
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7JYT
 | | hALK in complex with 3-(3-methyl-1H-pyrazol-5-yl)pyridine | | 分子名称: | 3-(3-methyl-1H-pyrazol-5-yl)pyridine, ALK tyrosine kinase receptor, GLYCEROL | | 著者 | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | 登録日 | 2020-08-31 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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7JY4
 | | hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)cyclopropyl)methanamine | | 分子名称: | 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine, ALK tyrosine kinase receptor | | 著者 | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | 登録日 | 2020-08-28 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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7JYS
 | | hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole | | 分子名称: | 1,2-ETHANEDIOL, 3-(3-chlorophenyl)-5-methyl-1H-pyrazole, ALK tyrosine kinase receptor | | 著者 | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | 登録日 | 2020-08-31 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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7JYR
 | | hALK in complex with 1-[(1R,2R)-1-(2,4-difluorophenyl)-2-[2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl]methanamine | | 分子名称: | 1,2-ETHANEDIOL, 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile, ALK tyrosine kinase receptor | | 著者 | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | 登録日 | 2020-08-31 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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7SQO
 | | Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16 | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | McGrath, A.P, Kang, Y, Flinspach, M. | | 登録日 | 2021-11-05 | | 公開日 | 2022-05-25 | | 最終更新日 | 2022-07-06 | | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | | 主引用文献 | Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
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7SR8
 | | Molecular mechanism of the the wake-promoting agent TAK-925 | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Hypocretin receptor type 2, ... | | 著者 | Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M. | | 登録日 | 2021-11-08 | | 公開日 | 2022-06-08 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
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4KRT
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4KRU
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