4J52
| Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | 分子名称: | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | 著者 | Hosfield, D.J, Skene, R.J. | 登録日 | 2013-02-07 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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5S1S
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1613477500 | 分子名称: | 7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine, Non-structural protein 3 | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | 登録日 | 2020-11-02 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S3S
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0103 | 分子名称: | 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one, Non-structural protein 3 | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | 登録日 | 2020-11-02 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.039 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S1O
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STL414928 | 分子名称: | 2H-pyrazolo[3,4-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Non-structural protein 3 | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | 登録日 | 2020-11-02 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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2OR2
| Structure of the W47A/W242A Mutant of Bacterial Phosphatidylinositol-Specific Phospholipase C | 分子名称: | 1-phosphatidylinositol phosphodiesterase | 著者 | Shao, C, Shi, X, Wehbi, H, Zambonelli, C, Head, J.F, Seaton, B.A, Roberts, M.F. | 登録日 | 2007-02-01 | 公開日 | 2007-02-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Dimer structure of an interfacially impaired phosphatidylinositol-specific phospholipase C. J.Biol.Chem., 282, 2007
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1CMU
| THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE | 分子名称: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1995-04-10 | 公開日 | 1995-07-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase. Protein Sci., 4, 1995
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1CKO
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3L62
| Crystal structure of substrate-free P450cam at low [K+] | 分子名称: | Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B. | 登録日 | 2009-12-22 | 公開日 | 2010-04-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | P450cam visits an open conformation in the absence of substrate. Biochemistry, 49, 2010
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1E1Y
| Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site | 分子名称: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ... | 著者 | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | 登録日 | 2000-05-11 | 公開日 | 2000-05-17 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Flavopiridol Inhibits Glycogen Phosphorylase by Binding at the Inhibitor Site J.Biol.Chem., 275, 2000
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2D09
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4J53
| Crystal structure of PLK1 in complex with TAK-960 | 分子名称: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | 著者 | Hosfield, D.J, Skene, R.J. | 登録日 | 2013-02-07 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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3TT7
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1DDL
| DESMODIUM YELLOW MOTTLE TYMOVIRUS | 分子名称: | DESMODIUM YELLOW MOTTLE VIRUS, RNA (5'-R(P*UP*U)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*U)-3') | 著者 | Larson, S.B, Day, J, Canady, M.A, Greenwood, A, McPherson, A. | 登録日 | 1999-11-10 | 公開日 | 2000-10-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Refined structure of desmodium yellow mottle tymovirus at 2.7 A resolution. J.Mol.Biol., 301, 2000
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3H2L
| Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | 分子名称: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | 著者 | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | 登録日 | 2009-04-14 | 公開日 | 2009-12-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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2A2U
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4IYB
| Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose | 分子名称: | GLYCEROL, Ricin B-like lectin, beta-D-galactopyranose | 著者 | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | 登録日 | 2013-01-28 | 公開日 | 2013-11-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose To be Published
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2K4K
| Solution structure of GSP13 from Bacillus subtilis | 分子名称: | General stress protein 13 | 著者 | Yu, W, Yu, B, Hu, J, Jin, C, Xia, B. | 登録日 | 2008-06-13 | 公開日 | 2009-05-12 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of GSP13 from Bacillus subtilis exhibits an S1 domain related to cold shock proteins. J.Biomol.Nmr, 43, 2009
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5SRW
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5SRR
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5SRY
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5SRX
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5SSE
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2FVJ
| A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro | 分子名称: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ... | 著者 | Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M. | 登録日 | 2006-01-31 | 公開日 | 2006-05-16 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro Mol.Endocrinol., 20, 2006
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1CMT
| THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE | 分子名称: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1995-04-11 | 公開日 | 1995-07-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase. Protein Sci., 4, 1995
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2QK8
| Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase | 分子名称: | Dihydrofolate reductase, METHOTREXATE | 著者 | Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G. | 登録日 | 2007-07-10 | 公開日 | 2007-08-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase. J.Med.Chem., 50, 2007
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