7WH1
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![BU of 7wh1 by Molmil](/molmil-images/mine/7wh1) | structure of C elegans BCMO-2 | 分子名称: | Beta-Carotene 15,15'-MonoOxygenase, FE (III) ION, GLYCEROL, ... | 著者 | Pan, W, Liu, L. | 登録日 | 2021-12-29 | 公開日 | 2022-02-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Functional Analysis of Nonheme Iron Enzymes BCMO-1 and BCMO-2 from Caenorhabditis elegans . Front Mol Biosci, 9, 2022
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7WH0
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![BU of 7wh0 by Molmil](/molmil-images/mine/7wh0) | structure of C elegans BCMO-1 | 分子名称: | Beta-Carotene 15,15'-MonoOxygenase, FE (III) ION, GLYCEROL, ... | 著者 | Pan, W, Liu, L. | 登録日 | 2021-12-29 | 公開日 | 2022-02-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and Functional Analysis of Nonheme Iron Enzymes BCMO-1 and BCMO-2 from Caenorhabditis elegans . Front Mol Biosci, 9, 2022
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8I3U
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![BU of 8i3u by Molmil](/molmil-images/mine/8i3u) | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ... | 著者 | Li, Z, Yu, F, Cao, S. | 登録日 | 2023-01-18 | 公開日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge. Signal Transduct Target Ther, 8, 2023
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8I3S
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![BU of 8i3s by Molmil](/molmil-images/mine/8i3s) | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ... | 著者 | Li, Z, Yu, F, Cao, S, ZHao, H. | 登録日 | 2023-01-17 | 公開日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge. Signal Transduct Target Ther, 8, 2023
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7X27
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8SRO
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![BU of 8sro by Molmil](/molmil-images/mine/8sro) | FoxP3 tetramer on TTTG repeats | 分子名称: | DNA 72-mer, Forkhead box protein P3 | 著者 | Leng, F, Hur, S. | 登録日 | 2023-05-05 | 公開日 | 2023-10-18 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | FOXP3 recognizes microsatellites and bridges DNA through multimerization. Nature, 624, 2023
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8SRP
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![BU of 8srp by Molmil](/molmil-images/mine/8srp) | |
8T5G
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![BU of 8t5g by Molmil](/molmil-images/mine/8t5g) | SOS2 co-crystal structure with fragment bound (compound 12) | 分子名称: | DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ... | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | 登録日 | 2023-06-13 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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8T5M
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![BU of 8t5m by Molmil](/molmil-images/mine/8t5m) | SOS2 crystal structure with fragment bound (compound 14) | 分子名称: | 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ... | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | 登録日 | 2023-06-14 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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8T5R
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![BU of 8t5r by Molmil](/molmil-images/mine/8t5r) | SOS2 crystal structure with fragment bound (compound 13) | 分子名称: | 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2 | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | 登録日 | 2023-06-14 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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8SYC
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![BU of 8syc by Molmil](/molmil-images/mine/8syc) | Crystal structure of PDE3B in complex with GSK4394835A | 分子名称: | MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 著者 | Concha, N.O, Nolte, R. | 登録日 | 2023-05-25 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library. J.Med.Chem., 67, 2024
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7WI6
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![BU of 7wi6 by Molmil](/molmil-images/mine/7wi6) | Cryo-EM structure of LY341495/NAM-bound mGlu3 | 分子名称: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3 | 著者 | Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F. | 登録日 | 2022-01-03 | 公開日 | 2022-03-16 | 最終更新日 | 2022-07-20 | 実験手法 | ELECTRON MICROSCOPY (3.71 Å) | 主引用文献 | Structural basis of the activation of metabotropic glutamate receptor 3. Cell Res., 32, 2022
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7WIH
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![BU of 7wih by Molmil](/molmil-images/mine/7wih) | Cryo-EM structure of LY2794193-bound mGlu3 | 分子名称: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3 | 著者 | Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F. | 登録日 | 2022-01-03 | 公開日 | 2022-03-16 | 最終更新日 | 2022-07-20 | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | 主引用文献 | Structural basis of the activation of metabotropic glutamate receptor 3. Cell Res., 32, 2022
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7WI8
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![BU of 7wi8 by Molmil](/molmil-images/mine/7wi8) | Cryo-EM structure of inactive mGlu3 bound to LY341495 | 分子名称: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3 | 著者 | Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F. | 登録日 | 2022-01-03 | 公開日 | 2022-03-16 | 最終更新日 | 2022-07-20 | 実験手法 | ELECTRON MICROSCOPY (4.17 Å) | 主引用文献 | Structural basis of the activation of metabotropic glutamate receptor 3. Cell Res., 32, 2022
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8UF2
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![BU of 8uf2 by Molmil](/molmil-images/mine/8uf2) | |
8UH0
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![BU of 8uh0 by Molmil](/molmil-images/mine/8uh0) | |
8UC9
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![BU of 8uc9 by Molmil](/molmil-images/mine/8uc9) | |
8UV0
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8IDE
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![BU of 8ide by Molmil](/molmil-images/mine/8ide) | Structure of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme (TsaN) | 分子名称: | MANGANESE (II) ION, N(6)-L-threonylcarbamoyladenine synthase | 著者 | Zhang, Z.L, Jin, M.Q, Yu, Z.J, Chen, W, Wang, X.L, Lei, D.S, Zhang, W.H. | 登録日 | 2023-02-13 | 公開日 | 2023-07-26 | 最終更新日 | 2023-09-20 | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | 主引用文献 | Structure-function analysis of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme reveals a prototype of tRNA t6A and ct6A synthetases. Nucleic Acids Res., 51, 2023
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8V8H
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![BU of 8v8h by Molmil](/molmil-images/mine/8v8h) | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gunn, R.J, Lawson, J.D. | 登録日 | 2023-12-05 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8V8I
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![BU of 8v8i by Molmil](/molmil-images/mine/8v8i) | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | 著者 | Gunn, R.J, Lawson, J.D. | 登録日 | 2023-12-05 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8V8V
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![BU of 8v8v by Molmil](/molmil-images/mine/8v8v) | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). | 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, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gunn, R.J, Lawson, J.D. | 登録日 | 2023-12-06 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8V8U
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![BU of 8v8u by Molmil](/molmil-images/mine/8v8u) | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | 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, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gunn, R.J, Lawson, J.D. | 登録日 | 2023-12-06 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8V8J
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![BU of 8v8j by Molmil](/molmil-images/mine/8v8j) | PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | 著者 | Gunn, R.J, Lawson, J.D. | 登録日 | 2023-12-05 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8VFV
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![BU of 8vfv by Molmil](/molmil-images/mine/8vfv) | HIV Env BG505_MD39_B16 SOSIP boosting trimer in complex with B16_d77.5 mouse Fab and RM20A3 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B16_d77.5 mouse Fab heavy chain Fv, ... | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | 登録日 | 2023-12-22 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies. Science, 384, 2024
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