3R22
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![BU of 3r22 by Molmil](/molmil-images/mine/3r22) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | 分子名称: | N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | 著者 | Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | 登録日 | 2011-03-11 | 公開日 | 2011-08-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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3R1N
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![BU of 3r1n by Molmil](/molmil-images/mine/3r1n) | MK3 kinase bound to Compound 5b | 分子名称: | 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 3 | 著者 | Oubrie, A, Kazemier, B. | 登録日 | 2011-03-11 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3R21
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![BU of 3r21 by Molmil](/molmil-images/mine/3r21) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | 分子名称: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | 著者 | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | 登録日 | 2011-03-11 | 公開日 | 2011-08-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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3R2B
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![BU of 3r2b by Molmil](/molmil-images/mine/3r2b) | MK2 kinase bound to Compound 5b | 分子名称: | 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 2 | 著者 | Oubrie, A, van Zeeland, M, Versteegh, J. | 登録日 | 2011-03-14 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4B7V
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![BU of 4b7v by Molmil](/molmil-images/mine/4b7v) | Structure of wild type Pseudomonas aeruginosa FabF (KASII) | 分子名称: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2, POTASSIUM ION | 著者 | Lecker, L, Baum, B, Zoltner, M, Hunter, W.N. | 登録日 | 2012-08-22 | 公開日 | 2013-09-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structures of Pseudomonas Aeruginosa Beta-Keto-Acyl-(Acyl-Carrier-Protein) Synthase II (Fabf) and a C164Q Mutant Provide Templates for Antibacterial Drug Discovery and Identify a Buried Potassium Ion and a Ligand-Binding Site that is an Artefact of the Crystal Form Acta Crystallogr.,Sect.F, 71, 2015
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3BB0
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3S7D
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3S7B
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![BU of 3s7b by Molmil](/molmil-images/mine/3s7b) | Structural Basis of Substrate Methylation and Inhibition of SMYD2 | 分子名称: | (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ... | 著者 | Ferguson, A.D. | 登録日 | 2011-05-26 | 公開日 | 2011-08-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Structural Basis of Substrate Methylation and Inhibition of SMYD2. Structure, 19, 2011
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3S7J
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1LDT
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![BU of 1ldt by Molmil](/molmil-images/mine/1ldt) | COMPLEX OF LEECH-DERIVED TRYPTASE INHIBITOR WITH PORCINE TRYPSIN | 分子名称: | CALCIUM ION, TRYPSIN, TRYPTASE INHIBITOR | 著者 | Stubbs, M.T. | 登録日 | 1997-05-15 | 公開日 | 1998-05-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The three-dimensional structure of recombinant leech-derived tryptase inhibitor in complex with trypsin. Implications for the structure of human mast cell tryptase and its inhibition. J.Biol.Chem., 272, 1997
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4FIC
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5BYV
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![BU of 5byv by Molmil](/molmil-images/mine/5byv) | Crystal structure of MSM-13, a putative T1-like thiolase from Mycobacterium smegmatis | 分子名称: | Beta-ketothiolase | 著者 | Janardan, N, Harijan, R.K, Keima, T.R, Wierenga, R, Murthy, M.R.N. | 登録日 | 2015-06-11 | 公開日 | 2016-05-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.162 Å) | 主引用文献 | Structural characterization of a mitochondrial 3-ketoacyl-CoA (T1)-like thiolase from Mycobacterium smegmatis Acta Crystallogr.,Sect.D, 71, 2015
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8QQK
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![BU of 8qqk by Molmil](/molmil-images/mine/8qqk) | Cryo-EM structure of E. coli cytochrome bo3 quinol oxidase assembled in peptidiscs | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, ... | 著者 | Gao, Y, Zhang, Y, Hakke, S, Peters, P.J, Ravelli, R.B.G. | 登録日 | 2023-10-05 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Cryo-EM structure of cytochrome bo 3 quinol oxidase assembled in peptidiscs reveals an "open" conformation for potential ubiquinone-8 release. Biochim Biophys Acta Bioenerg, 1865, 2024
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8TQO
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![BU of 8tqo by Molmil](/molmil-images/mine/8tqo) | Eukaryotic translation initiation factor 2B tetramer | 分子名称: | Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, Translation initiation factor eIF-2B subunit epsilon, ... | 著者 | Wang, L, Lawrence, R, Sangwan, S, Anand, A, Shoemaker, S, Deal, A, Marqusee, S, Watler, P. | 登録日 | 2023-08-08 | 公開日 | 2023-12-06 | 最終更新日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | A helical fulcrum in eIF2B coordinates allosteric regulation of stress signaling. Nat.Chem.Biol., 20, 2024
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8TQZ
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![BU of 8tqz by Molmil](/molmil-images/mine/8tqz) | Eukaryotic translation initiation factor 2B with a mutation (L516A) in the delta subunit | 分子名称: | Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, ... | 著者 | Wang, L, Lawrence, R, Sangwan, S, Anand, A, Shoemaker, S, Deal, A, Marqusee, S, Watler, P. | 登録日 | 2023-08-08 | 公開日 | 2023-12-06 | 最終更新日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | A helical fulcrum in eIF2B coordinates allosteric regulation of stress signaling. Nat.Chem.Biol., 20, 2024
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8R9Z
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8R9X
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8R9Y
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8R9W
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4X08
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![BU of 4x08 by Molmil](/molmil-images/mine/4x08) | Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms. | 分子名称: | Eosinophil cationic protein, SULFATE ION | 著者 | Blanco, J.A, Garcia, J.M, Salazar, V.A, Sanchez, D, Moussauoi, M, Boix, E. | 登録日 | 2014-11-21 | 公開日 | 2015-10-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms. To Be Published
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5F0V
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![BU of 5f0v by Molmil](/molmil-images/mine/5f0v) | X-ray crystal structure of a thiolase from Escherichia coli at 1.8 A resolution | 分子名称: | 1,2-ETHANEDIOL, Acetyl-CoA acetyltransferase | 著者 | Ithayaraja, M, Neelanjana, J, Wierenga, R, Savithri, H.S, Murthy, M.R.N. | 登録日 | 2015-11-28 | 公開日 | 2016-07-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of a thiolase from Escherichia coli at 1.8 angstrom resolution. Acta Crystallogr.,Sect.F, 72, 2016
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5F38
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![BU of 5f38 by Molmil](/molmil-images/mine/5f38) | X-ray crystal structure of a thiolase from Escherichia coli at 1.8 A resolution | 分子名称: | 1,2-ETHANEDIOL, Acetyl-CoA acetyltransferase, COENZYME A, ... | 著者 | Ithayaraja, M, Neelanjana, J, Wierenga, R, Savithri, H.S, Murthy, M.R.N. | 登録日 | 2015-12-02 | 公開日 | 2016-07-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of a thiolase from Escherichia coli at 1.8 angstrom resolution. Acta Crystallogr.,Sect.F, 72, 2016
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4OXF
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3UQD
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![BU of 3uqd by Molmil](/molmil-images/mine/3uqd) | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with substrates and products | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase isozyme 2, ... | 著者 | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Babul, J. | 登録日 | 2011-11-20 | 公開日 | 2012-11-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Studying the phosphoryl transfer mechanism of theE. coliphosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations. Chem Sci, 10, 2019
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5P2P
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![BU of 5p2p by Molmil](/molmil-images/mine/5p2p) | X-RAY STRUCTURE OF PHOSPHOLIPASE A2 COMPLEXED WITH A SUBSTRATE-DERIVED INHIBITOR | 分子名称: | CALCIUM ION, PHOSPHOLIPASE A2, PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER | 著者 | Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J. | 登録日 | 1990-09-01 | 公開日 | 1991-10-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | X-ray structure of phospholipase A2 complexed with a substrate-derived inhibitor. Nature, 347, 1990
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