8C1H
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![BU of 8c1h by Molmil](/molmil-images/mine/8c1h) | Aurora A kinase in complex with TPX2-inhibitor 8 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.233 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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7T7A
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![BU of 7t7a by Molmil](/molmil-images/mine/7t7a) | Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein | 分子名称: | Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, NITRATE ION | 著者 | Hajian, B, Lemke, C, Kwon, J, Bian, Y, Fuller, C, Aguirre, J. | 登録日 | 2021-12-14 | 公開日 | 2022-05-04 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
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8F6T
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![BU of 8f6t by Molmil](/molmil-images/mine/8f6t) | Cryo-EM structure of alkane 1-monooxygenase AlkB-AlkG complex from Fontimonas thermophila | 分子名称: | Alkane 1-monooxygenase, DODECANE, FE (III) ION | 著者 | Chai, J, Guo, G, McSweeney, S, Shanklin, J, Liu, Q. | 登録日 | 2022-11-17 | 公開日 | 2023-04-05 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | 主引用文献 | Structural basis for enzymatic terminal C-H bond functionalization of alkanes. Nat.Struct.Mol.Biol., 30, 2023
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8C1M
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![BU of 8c1m by Molmil](/molmil-images/mine/8c1m) | Aurora A kinase in complex with TPX2-inhibitor 2 | 分子名称: | 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1E
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![BU of 8c1e by Molmil](/molmil-images/mine/8c1e) | Aurora A kinase in complex with TPX2-inhibitor 9 | 分子名称: | 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.798 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1I
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![BU of 8c1i by Molmil](/molmil-images/mine/8c1i) | Aurora A kinase in complex with TPX2-inhibitor 10 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1F
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![BU of 8c1f by Molmil](/molmil-images/mine/8c1f) | Aurora A kinase in complex with TPX2-inhibitor 6 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.924 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8C1K
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![BU of 8c1k by Molmil](/molmil-images/mine/8c1k) | Aurora A kinase in complex with TPX2-inhibitor CAM2602 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8F0Q
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![BU of 8f0q by Molmil](/molmil-images/mine/8f0q) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310 | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide, ... | 著者 | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | 登録日 | 2022-11-03 | 公開日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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7PP9
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![BU of 7pp9 by Molmil](/molmil-images/mine/7pp9) | |
7PP3
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![BU of 7pp3 by Molmil](/molmil-images/mine/7pp3) | |
8F0P
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![BU of 8f0p by Molmil](/molmil-images/mine/8f0p) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305 | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | 登録日 | 2022-11-03 | 公開日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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8F0S
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![BU of 8f0s by Molmil](/molmil-images/mine/8f0s) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296 | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | 登録日 | 2022-11-03 | 公開日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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8C1G
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![BU of 8c1g by Molmil](/molmil-images/mine/8c1g) | Aurora A kinase in complex with TPX2-inhibitor 7 | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2022-12-20 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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8F0R
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![BU of 8f0r by Molmil](/molmil-images/mine/8f0r) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565 | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide, ... | 著者 | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | 登録日 | 2022-11-03 | 公開日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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7PP8
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![BU of 7pp8 by Molmil](/molmil-images/mine/7pp8) | |
8C53
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![BU of 8c53 by Molmil](/molmil-images/mine/8c53) | Trypanosoma brucei IMP dehydrogenase (ori) crystallized in High Five cells reveals native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo; CrystFEL processing | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | 著者 | Lahey-Rudolph, J.M, Schoenherr, R, Boger, J, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Bourenkov, G, Schneider, T, Redecke, L. | 登録日 | 2023-01-06 | 公開日 | 2024-01-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
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8F2R
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![BU of 8f2r by Molmil](/molmil-images/mine/8f2r) | Human CCC complex | 分子名称: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | 著者 | Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J. | 登録日 | 2022-11-08 | 公開日 | 2023-05-24 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome. Cell, 186, 2023
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8C5K
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![BU of 8c5k by Molmil](/molmil-images/mine/8c5k) | HEX-1 (in cellulo, in situ) crystallized and diffracted in High Five cells. Growth and SX data collection at 296 K on CrystalDirect plates | 分子名称: | Woronin body major protein | 著者 | Lahey-Rudolph, J.M, Schoenherr, R, Boger, J, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | 登録日 | 2023-01-09 | 公開日 | 2024-01-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
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8C51
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![BU of 8c51 by Molmil](/molmil-images/mine/8c51) | Trypanosoma brucei IMP dehydrogenase (cyto) crystallized in High Five cells revealing native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | 著者 | Lahey-Rudolph, J.M, Schoenherr, R, Boger, J, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | 登録日 | 2023-01-06 | 公開日 | 2024-01-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
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8F2U
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![BU of 8f2u by Molmil](/molmil-images/mine/8f2u) | Human CCC complex | 分子名称: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | 著者 | Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J. | 登録日 | 2022-11-08 | 公開日 | 2023-05-24 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | 主引用文献 | Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome. Cell, 186, 2023
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5K32
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![BU of 5k32 by Molmil](/molmil-images/mine/5k32) | PDE4D crystal structure in complex with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ... | 著者 | Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J. | 登録日 | 2016-05-19 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships. J. Med. Chem., 61, 2018
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5JR9
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![BU of 5jr9 by Molmil](/molmil-images/mine/5jr9) | Crystal structure of apo-NeC3PO | 分子名称: | NEQ131 | 著者 | Zhang, J, Gan, J. | 登録日 | 2016-05-06 | 公開日 | 2016-09-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for single-stranded RNA recognition and cleavage by C3PO Nucleic Acids Res., 44, 2016
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8CD4
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![BU of 8cd4 by Molmil](/molmil-images/mine/8cd4) | structure of HEX-1 from N. crassa crystallized in cellulo (cytosol), diffracted at 100K and resolved using CrystFEL | 分子名称: | Woronin body major protein | 著者 | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | 登録日 | 2023-01-30 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
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8CD6
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![BU of 8cd6 by Molmil](/molmil-images/mine/8cd6) | structure of HEX-1 (cyto V2) from N. crassa grown in living insect cells, diffracted at 100K and resolved using CrystFEL | 分子名称: | Woronin body major protein | 著者 | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | 登録日 | 2023-01-30 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
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