8CNN
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![BU of 8cnn by Molmil](/molmil-images/mine/8cnn) | BeF3 Phospho-HRas GSA complex | 分子名称: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Baumann, P, Jin, Y. | 登録日 | 2023-02-23 | 公開日 | 2023-09-27 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
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8CNJ
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![BU of 8cnj by Molmil](/molmil-images/mine/8cnj) | HRas(1-166) in complex with GDP and BeF3- | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ... | 著者 | Baumann, P, Jin, Y. | 登録日 | 2023-02-23 | 公開日 | 2023-09-27 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
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8QCW
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7Q0W
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![BU of 7q0w by Molmil](/molmil-images/mine/7q0w) | Bovine Trypsin co-crystallized with V(IV)OSO4 and phen | 分子名称: | 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | 登録日 | 2021-10-16 | 公開日 | 2022-05-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
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5FPM
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![BU of 5fpm by Molmil](/molmil-images/mine/5fpm) | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 5-phenyl-1,3,4-oxadiazole-2-thiol (AT809) in an alternate binding site. | 分子名称: | 5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL, HEAT SHOCK-RELATED 70KDA PROTEIN 2 | 著者 | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | 登録日 | 2015-12-02 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5JL6
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5JL9
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5IZB
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7Q0T
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![BU of 7q0t by Molmil](/molmil-images/mine/7q0t) | Lysozyme soaked with V(IV)OSO4 | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | 登録日 | 2021-10-16 | 公開日 | 2022-05-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
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5J6Z
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5FP5
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![BU of 5fp5 by Molmil](/molmil-images/mine/5fp5) | Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid (AT222) in an alternate binding site. | 分子名称: | 4-fluorobenzoic acid, ACETYL GROUP, CYCLIN-DEPENDENT KINASE 2 | 著者 | Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M. | 登録日 | 2015-11-27 | 公開日 | 2015-12-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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8C12
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![BU of 8c12 by Molmil](/molmil-images/mine/8c12) | Identification of an intermediate activation state of PAK5 reveals a novel mechanism of kinase inhibition. | 分子名称: | PAK5-Af17, Serine/threonine-protein kinase PAK 5 | 著者 | Martin, H.L, Turner, A.L, Trinh, C.H, Bayliss, R.W, Tomlinson, D.C. | 登録日 | 2022-12-19 | 公開日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | 主引用文献 | Affimer-mediated locking of p21-activated kinase 5 in an intermediate activation state results in kinase inhibition. Cell Rep, 42, 2023
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5FP6
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![BU of 5fp6 by Molmil](/molmil-images/mine/5fp6) | Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site. | 分子名称: | 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol, CYCLIN-DEPENDENT KINASE 2 | 著者 | Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M. | 登録日 | 2015-11-27 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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8PYQ
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![BU of 8pyq by Molmil](/molmil-images/mine/8pyq) | 10 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography. | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Mason, T.J, Carrillo, M, Beale, J.H, Padeste, C. | 登録日 | 2023-07-25 | 公開日 | 2023-08-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs. Iucrj, 10, 2023
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5JOM
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![BU of 5jom by Molmil](/molmil-images/mine/5jom) | X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D. | 登録日 | 2016-05-02 | 公開日 | 2016-08-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography. Acta Crystallogr D Struct Biol, 72, 2016
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8PYO
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![BU of 8pyo by Molmil](/molmil-images/mine/8pyo) | 5 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography. | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Mason, T.J, Carrillo, M, Beale, J.H, Padeste, C. | 登録日 | 2023-07-25 | 公開日 | 2023-08-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs. Iucrj, 10, 2023
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8Q1Z
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8PYP
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![BU of 8pyp by Molmil](/molmil-images/mine/8pyp) | 25 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography. | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Mason, T.J, Carrillo, M, Beale, J.H, Padeste, C. | 登録日 | 2023-07-25 | 公開日 | 2023-08-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs. Iucrj, 10, 2023
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8PVP
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![BU of 8pvp by Molmil](/molmil-images/mine/8pvp) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18 | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide | 著者 | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-07-18 | 公開日 | 2023-09-20 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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5FM8
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8CCX
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![BU of 8ccx by Molmil](/molmil-images/mine/8ccx) | Human SOD1 in complex with S-XL6 cross-linker | 分子名称: | COPPER (II) ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | 著者 | Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S. | 登録日 | 2023-01-27 | 公開日 | 2023-12-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | 主引用文献 | Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS. Plos Biol., 22, 2024
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8PM3
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![BU of 8pm3 by Molmil](/molmil-images/mine/8pm3) | Crystal structure of MAP2K6 with a covalent compound GCL94 | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 6, ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide | 著者 | Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-28 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of MAP2K6 with a covalent compound GCL94 To Be Published
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8PVO
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![BU of 8pvo by Molmil](/molmil-images/mine/8pvo) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5 | 分子名称: | 1,2-ETHANEDIOL, 2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, Casein kinase II subunit alpha, ... | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-07-18 | 公開日 | 2023-09-20 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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8CL6
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![BU of 8cl6 by Molmil](/molmil-images/mine/8cl6) | Lysozyme in matrix of hydroxyethylcellulose (HEC) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ... | 著者 | Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CL5
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![BU of 8cl5 by Molmil](/molmil-images/mine/8cl5) | Lysozyme in matrix of lipidic cubic phase of monoolein (LCP) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ... | 著者 | Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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