3PTG
 
 | | Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor | | 分子名称: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | 著者 | Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. | | 登録日 | 2010-12-02 | | 公開日 | 2011-03-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
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3RTP
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | 分子名称: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | 著者 | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | 登録日 | 2011-05-03 | | 公開日 | 2013-05-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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8PWZ
 | | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadBD from Mycobacterium tuberculosis | | 分子名称: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, UPF0336 protein Rv0504c | | 著者 | Rima, J, Grimoire, Y, Bories, P, Bardou, F, Quemard, A, Bon, C, Mourey, L, Tranier, S. | | 登録日 | 2023-07-22 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.00196719 Å) | | 主引用文献 | HadBD dehydratase from Mycobacterium tuberculosis fatty acid synthase type II: A singular structure for a unique function.
Protein Sci., 33, 2024
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2XTS
 | | Crystal Structure of the Sulfane Dehydrogenase SoxCD from Paracoccus pantotrophus | | 分子名称: | CALCIUM ION, COBALT (II) ION, CYTOCHROME, ... | | 著者 | Zander, U, Faust, A, Klink, B.U, de Sanctis, D, Panjikar, S, Quentmeier, A, Bardischewski, F, Friedrich, C.G, Scheidig, A.J. | | 登録日 | 2010-10-12 | | 公開日 | 2010-12-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structural Basis for the Oxidation of Protein-Bound Sulfur by the Sulfur Cycle Molybdohemo-Enzyme Sulfane Dehydrogenase Soxcd.
J.Biol.Chem., 286, 2011
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5V7U
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5V7R
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3OY1
 | | Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties | | 分子名称: | 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10 | | 著者 | Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N. | | 登録日 | 2010-09-22 | | 公開日 | 2011-08-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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3OXI
 | | Design and Synthesis of Disubstituted Thiophene and Thiazole Based Inhibitors of JNK for the Treatment of Neurodegenerative Diseases | | 分子名称: | Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8 interacting protein 1, methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate | | 著者 | Hom, R.K, Bowers, S, Sealy, J, Truong, A, Probst, G.D, Neitzel, M, Neitz, J, Fang, L, Brogley, L, Wu, J, Konradi, A.W, Sham, H, Toth, G, Pan, H, Yao, N, Artis, D.R. | | 登録日 | 2010-09-21 | | 公開日 | 2011-05-04 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK.
Bioorg.Med.Chem.Lett., 20, 2010
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5JBQ
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5EHP
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836 | | 分子名称: | 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Stams, T, Fodor, M. | | 登録日 | 2015-10-28 | | 公開日 | 2016-07-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016
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7R0U
 | | Structure of a cytosolic sulfotransferase of Anopheles gambiae (AGAP001425) in complex with 3'-phosphoadenosine 5-phosphate and vanillin. | | 分子名称: | 4-hydroxy-3-methoxybenzaldehyde, ADENOSINE-3'-5'-DIPHOSPHATE, AGAP001425-PA, ... | | 著者 | Esposito Verza, A, Miggiano, R, Rizzi, R, Rossi, F. | | 登録日 | 2022-02-02 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues.
Curr Res Struct Biol, 4, 2022
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7R0O
 | | Structure of a cytosolic sulfotransferase of Anopheles gambiae (AGAP001425). | | 分子名称: | AGAP001425-PA, CHLORIDE ION, GLYCEROL | | 著者 | Esposito Verza, A, Miggiano, R, Rizzi, R, Rossi, F. | | 登録日 | 2022-02-02 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues.
Curr Res Struct Biol, 4, 2022
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7R0S
 | | Structure of a cytosolic sulfotransferase of Anopheles gambiae (AGAP001425) in complex with vanillin | | 分子名称: | 4-hydroxy-3-methoxybenzaldehyde, AGAP001425-PA, CHLORIDE ION, ... | | 著者 | Esposito Verza, A, Miggiano, R, Rizzi, R, Rossi, F. | | 登録日 | 2022-02-02 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues.
Curr Res Struct Biol, 4, 2022
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3HA3
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3HA7
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3HA5
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5GMJ
 | | Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus | | 分子名称: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule B | | 著者 | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | | 登録日 | 2016-07-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.986 Å) | | 主引用文献 | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
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5GMI
 | | Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus | | 分子名称: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule C | | 著者 | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | | 登録日 | 2016-07-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
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5MO4
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3D4T
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2FK8
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2FK7
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6B0F
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5NHU
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6HD6
 | | ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571) | | 分子名称: | 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | | 著者 | Cowan-Jacob, S.W. | | 登録日 | 2018-08-17 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
J. Med. Chem., 61, 2018
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