7UAP
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8BE0
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6C7Q
| BRD4 BD2 in complex with compound CE277 | 分子名称: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2018-01-23 | 公開日 | 2018-08-01 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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5EZV
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6WY7
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | 著者 | Khan, J.A. | 登録日 | 2020-05-12 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.089 Å) | 主引用文献 | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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7H26
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198317053 | 分子名称: | (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid, DIMETHYL SULFOXIDE, SULFATE ION, ... | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2024-04-03 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7GYZ
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000035-001 | 分子名称: | N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyrazolo[3,4-b]pyridin-5-yl)urea, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.123 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZ4
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000018-001 | 分子名称: | 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, Non-structural protein 3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.119 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H09
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011177-001 | 分子名称: | (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZ1
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000061-001 | 分子名称: | 3-chloro-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide, Non-structural protein 3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.171 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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6MT3
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7R1F
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6MTM
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4NOX
| Structure of the nine-bladed beta-propeller of eIF3b | 分子名称: | CHLORIDE ION, Eukaryotic translation initiation factor 3 subunit B | 著者 | Liu, Y, Neumann, P, Kuhle, B, Monecke, T, Ficner, R. | 登録日 | 2013-11-20 | 公開日 | 2014-09-17 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.722 Å) | 主引用文献 | Translation initiation factor eIF3b contains a nine-bladed beta-propeller and interacts with the 40S ribosomal subunit Structure, 22, 2014
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6MT4
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5I0B
| Structure of PAK4 | 分子名称: | 6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine, Serine/threonine-protein kinase PAK 4 | 著者 | Park, S.Y. | 登録日 | 2016-02-03 | 公開日 | 2016-12-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | The discovery and the structural basis of an imidazo[4,5-b]pyridine-based p21-activated kinase 4 inhibitor Bioorg. Med. Chem. Lett., 26, 2016
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4Z9K
| Ricin A chain bound to camelid nanobody (VHH2)(F5) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Ricin, ... | 著者 | Rudolph, M.J. | 登録日 | 2015-04-10 | 公開日 | 2016-07-20 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural analysis of nested neutralizing and non-neutralizing B cell epitopes on ricin toxin's enzymatic subunit. Proteins, 84, 2016
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6C7R
| BRD4 BD1 in complex with compound CF53 | 分子名称: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2018-01-23 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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7V6D
| Structure of lipase B from Lasiodiplodia theobromae | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lipase B | 著者 | Xue, B, Zhang, H.F, Nguyen, G.K.T, Yew, W.S. | 登録日 | 2021-08-20 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Novel Lipase from Lasiodiplodia theobromae Efficiently Hydrolyses C8-C10 Methyl Esters for the Preparation of Medium-Chain Triglycerides' Precursors. Int J Mol Sci, 22, 2021
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6MT6
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3LJ3
| PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor | 分子名称: | (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Bard, J, Svenson, K. | 登録日 | 2010-01-25 | 公開日 | 2010-04-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR). Bioorg.Med.Chem.Lett., 20, 2010
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3NAL
| SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative DTB | 分子名称: | (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate, MAGNESIUM ION, POTASSIUM ION, ... | 著者 | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | 登録日 | 2010-06-02 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
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6MT5
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6CWD
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1P9F
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