6TPD
 
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | 分子名称: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one, Tyrosine-protein kinase JAK2 | | 著者 | Hansen, B.B, Jepsen, T.J, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Moelck, C, Rai, S, Nasipireddy, V.R, Ritzen, A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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6TPE
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | 分子名称: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | | 著者 | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-07-22 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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6TPF
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | 分子名称: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | | 著者 | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-07-22 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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6ZBA
 | | Crystal structure of PDE4D2 in complex with inhibitor LEO39652 | | 分子名称: | 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ... | | 著者 | Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. | | 登録日 | 2020-06-08 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis.
J.Med.Chem., 63, 2020
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4W1O
 | | PDE4D complexed with inhibitor | | 分子名称: | N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | | 著者 | Sorensen, M.D. | | 登録日 | 2014-08-14 | | 公開日 | 2014-11-05 | | 最終更新日 | 2020-03-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis
J.Med.Chem, 57, 2014
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4WCU
 | | PDE4 complexed with inhibitor | | 分子名称: | MAGNESIUM ION, N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide, ZINC ION, ... | | 著者 | Sorensen, M.D. | | 登録日 | 2014-09-05 | | 公開日 | 2014-10-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis.
J. Med. Chem., 57, 2014
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6H1J
 | | TarP native | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Probable ss-1,3-N-acetylglucosaminyltransferase | | 著者 | Guo, Y, Stehle, T. | | 登録日 | 2018-07-11 | | 公開日 | 2018-09-26 | | 最終更新日 | 2018-12-12 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Nature, 563, 2018
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6H2N
 | | TarP-UDP-GlcNAc-Mg | | 分子名称: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Guo, Y, Stehle, T. | | 登録日 | 2018-07-13 | | 公開日 | 2018-09-26 | | 最終更新日 | 2018-12-12 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Nature, 563, 2018
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6H21
 | | TarP-UDP-GlcNAc-Mn | | 分子名称: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Guo, Y, Stehle, T. | | 登録日 | 2018-07-12 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Nature, 563, 2018
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6H4F
 | | TarP-3RboP | | 分子名称: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Guo, Y, Stehle, T. | | 登録日 | 2018-07-21 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Nature, 563, 2018
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6H4M
 | | TarP-UDP-GlcNAc-3RboP | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Probable ss-1,3-N-acetylglucosaminyltransferase, ... | | 著者 | Guo, Y, Stehle, T. | | 登録日 | 2018-07-22 | | 公開日 | 2018-09-26 | | 最終更新日 | 2018-12-12 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Nature, 563, 2018
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6HNQ
 | | TarP-6RboP-(CH2)6NH2 | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Probable ss-1,3-N-acetylglucosaminyltransferase, ... | | 著者 | Guo, Y, Stehle, T. | | 登録日 | 2018-09-17 | | 公開日 | 2018-10-24 | | 最終更新日 | 2018-12-12 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Nature, 563, 2018
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1FSK
 | | COMPLEX FORMATION BETWEEN A FAB FRAGMENT OF A MONOCLONAL IGG ANTIBODY AND THE MAJOR ALLERGEN FROM BIRCH POLLEN BET V 1 | | 分子名称: | ANTIBODY HEAVY CHAIN FAB, IMMUNOGLOBULIN KAPPA LIGHT CHAIN, MAJOR POLLEN ALLERGEN BET V 1-A | | 著者 | Mirza, O, Henriksen, A, Ipsen, H, Larsen, J, Wissenbach, M, Spangfort, M, Gajhede, M. | | 登録日 | 2000-09-11 | | 公開日 | 2000-10-02 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Dominant epitopes and allergic cross-reactivity: complex formation between a Fab fragment of a monoclonal murine IgG antibody and the major allergen from birch pollen Bet v 1.
J.Immunol., 165, 2000
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