8FG6
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6SZM
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![BU of 6szm by Molmil](/molmil-images/mine/6szm) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-10-02 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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6T14
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![BU of 6t14 by Molmil](/molmil-images/mine/6t14) | Native structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7 | 分子名称: | SODIUM ION, Type-1Aa cytolytic delta-endotoxin | 著者 | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | 登録日 | 2019-10-03 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade. Nat Commun, 11, 2020
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6T1C
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![BU of 6t1c by Molmil](/molmil-images/mine/6t1c) | Structure of the C7S mutant of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7 | 分子名称: | SODIUM ION, Type-1Aa cytolytic delta-endotoxin | 著者 | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | 登録日 | 2019-10-03 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade. Nat Commun, 11, 2020
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6STR
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![BU of 6str by Molmil](/molmil-images/mine/6str) | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 60 seconds soaking | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | 登録日 | 2019-09-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL). Glycobiology, 2021
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6STQ
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![BU of 6stq by Molmil](/molmil-images/mine/6stq) | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 30 seconds soaking | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | 登録日 | 2019-09-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL). Glycobiology, 2021
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6STN
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![BU of 6stn by Molmil](/molmil-images/mine/6stn) | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl glucosamine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | 登録日 | 2019-09-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL). Glycobiology, 2021
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6STM
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![BU of 6stm by Molmil](/molmil-images/mine/6stm) | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) | 分子名称: | Arundo donax Lectin (ADL), GLYCEROL | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | 登録日 | 2019-09-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL). Glycobiology, 2021
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6STP
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![BU of 6stp by Molmil](/molmil-images/mine/6stp) | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with sialic acid | 分子名称: | Arundo donax Lectin (ADL), GLYCEROL, N-acetyl-alpha-neuraminic acid | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | 登録日 | 2019-09-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL). Glycobiology, 2021
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6STO
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![BU of 6sto by Molmil](/molmil-images/mine/6sto) | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ... | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | 登録日 | 2019-09-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL). Glycobiology, 2021
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1KIL
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![BU of 1kil by Molmil](/molmil-images/mine/1kil) | Three-dimensional structure of the complexin/SNARE complex | 分子名称: | Complexin I SNARE-complex binding region, MAGNESIUM ION, SNAP-25 C-terminal SNARE motif, ... | 著者 | Chen, X, Tomchick, D, Kovrigin, E, Arac, D, Machius, M, Sudhof, T.C, Rizo, J. | 登録日 | 2001-12-03 | 公開日 | 2002-03-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Three-dimensional structure of the complexin/SNARE complex. Neuron, 33, 2002
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6T2J
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![BU of 6t2j by Molmil](/molmil-images/mine/6t2j) | dAb3 | 分子名称: | PHOSPHATE ION, Single domain antibody | 著者 | Tsai, Y.-C.I, House, D, Rittinger, K. | 登録日 | 2019-10-08 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases. Cell Chem Biol, 27, 2020
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4RER
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![BU of 4rer by Molmil](/molmil-images/mine/4rer) | Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ... | 著者 | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | 登録日 | 2014-09-23 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (4.047 Å) | 主引用文献 | Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
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6SVE
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![BU of 6sve by Molmil](/molmil-images/mine/6sve) | Protein allostery of the WW domain at atomic resolution: pCdc25C bound structure | 分子名称: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R. | 登録日 | 2019-09-18 | 公開日 | 2020-10-07 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Protein Allostery at Atomic Resolution. Angew.Chem.Int.Ed.Engl., 59, 2020
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8GUD
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![BU of 8gud by Molmil](/molmil-images/mine/8gud) | Cryo-EM structure of cancer-specific PI3Kalpha mutant E545K in complex with BYL-719 | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2022-09-11 | 公開日 | 2022-11-23 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | 主引用文献 | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GUB
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![BU of 8gub by Molmil](/molmil-images/mine/8gub) | Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719 | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2022-09-11 | 公開日 | 2022-11-23 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | 主引用文献 | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZQ7
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![BU of 7zq7 by Molmil](/molmil-images/mine/7zq7) | Structure of RpF-1 | 分子名称: | Crotonase/enoyl-CoA hydratase family protein | 著者 | Sanchez-Alba, L, Reverter, D, Conchillo, O, Yero, D, Daura, X, Gibert, I. | 登録日 | 2022-04-29 | 公開日 | 2023-05-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of RpF-1 To Be Published
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8GUA
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![BU of 8gua by Molmil](/molmil-images/mine/8gua) | Cryo-EM structure of cancer-specific PI3Kalpha mutant E542K in complex with BYL-719 | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2022-09-11 | 公開日 | 2022-12-07 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | 主引用文献 | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8A1G
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![BU of 8a1g by Molmil](/molmil-images/mine/8a1g) | Structure of the SNX1-SNX5 complex | 分子名称: | N-PROPANOL, Sorting nexin-1, Sorting nexin-5 | 著者 | Lopez-Robles, C, Scaramuzza, S, Astorga-Simon, E.N, Banos-Mateos, S, Vidaurrazaga, A, Rojas, A.L, Castano, D, Hierro, A. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Architecture of the ESCPE-1 membrane coat. Nat.Struct.Mol.Biol., 30, 2023
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1K54
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![BU of 1k54 by Molmil](/molmil-images/mine/1k54) | OXA-10 class D beta-lactamase partially acylated with reacted 6beta-(1-hydroxy-1-methylethyl) penicillanic acid | 分子名称: | (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, Beta lactamase OXA-10, ... | 著者 | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | 登録日 | 2001-10-10 | 公開日 | 2001-11-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases. Proc.Natl.Acad.Sci.USA, 98, 2001
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4QR1
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![BU of 4qr1 by Molmil](/molmil-images/mine/4qr1) | |
8GPN
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![BU of 8gpn by Molmil](/molmil-images/mine/8gpn) | Human menin in complex with H3K79Me2 nucleosome | 分子名称: | DNA (177-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Lin, J, Yu, D, Lam, W.H, Dang, S, Zhai, Y, Li, X.D. | 登録日 | 2022-08-26 | 公開日 | 2023-02-15 | 最終更新日 | 2023-03-01 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Menin "reads" H3K79me2 mark in a nucleosomal context. Science, 379, 2023
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8G62
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![BU of 8g62 by Molmil](/molmil-images/mine/8g62) | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | 分子名称: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2023-02-14 | 公開日 | 2023-02-22 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 To Be Published
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8GOP
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![BU of 8gop by Molmil](/molmil-images/mine/8gop) | SARS-CoV-2 specific private TCR RLQ7 | 分子名称: | SARS-CoV-2 specific private TCR RLQ7 alpha, SARS-CoV-2 specific private TCR RLQ7 beta | 著者 | Wu, D, Mariuzza, R.A. | 登録日 | 2022-08-25 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural insights into protection against a SARS-CoV-2 spike variant by T cell receptor (TCR) diversity. J.Biol.Chem., 299, 2023
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8GOM
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![BU of 8gom by Molmil](/molmil-images/mine/8gom) | |