8F9A
| Compound 11 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F9B
| Compound 19 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F99
| Compound 10 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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5MV8
| Structure of human Myosin 7b C-terminal MyTH4-FERM domain in complex with harmonin-a PDZ3 domain | 分子名称: | GLYCEROL, MAGNESIUM ION, Unconventional myosin-VIIb, ... | 著者 | Yu, I, Sourigues, Y, Titus, M.A, Houdusse, A. | 登録日 | 2017-01-16 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Myosin 7 and its adaptors link cadherins to actin. Nat Commun, 8, 2017
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8F9C
| Compound 20 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8FCI
| tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R. | 登録日 | 2022-12-01 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | 主引用文献 | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine To Be Published
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5MVO
| FoxE P43212 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase | 分子名称: | COPPER (II) ION, FoxE, HEME C, ... | 著者 | Pereira, L, Saraiva, I.H, Oliveira, A.S, Soares, C, Gomes, R.O, Frazao, C. | 登録日 | 2017-01-17 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.668 Å) | 主引用文献 | Crystallization and preliminary crystallographic studies of FoxE from Rhodobacter ferrooxidans SW2, an Fe(II) oxidoreductase involved in photoferrotrophy. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
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8PT3
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8F9D
| Compound 21 bound to procaspase-6 | 分子名称: | 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F98
| Compound 8 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8FBV
| Compound 7 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-30 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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6YT7
| GLYCOSYLATED KNOB/DUMMY-HOLE FC FRAGMENT | 分子名称: | Ig gamma-1 chain C region, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Kuglstatter, A, Leibrock, L, Benz, J. | 登録日 | 2020-04-24 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Format chain exchange (FORCE) for high-throughput generation of bispecific antibodies in combinatorial binder-format matrices. Nat Commun, 11, 2020
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6MYK
| Pleurotus ostreatus OstreolysinA mutant E69A with Bis-Tris | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ostreolysin A6, ... | 著者 | Tomchick, D.R, Radhakrishnan, A, Endapally, S. | 登録日 | 2018-11-01 | 公開日 | 2019-02-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular Discrimination between Two Conformations of Sphingomyelin in Plasma Membranes. Cell, 176, 2019
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8F96
| Compound 3 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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6MZ1
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8FCH
| Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium | 分子名称: | tRNA (guanine-N(1)-)-methyltransferase | 著者 | Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R. | 登録日 | 2022-12-01 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.956 Å) | 主引用文献 | Apo structure of (N1G37) Methyltransferase from Mycobacterium avium. To Be Published
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8UTA
| yjdF riboswitch from R. gauvreauii in complex with proflavine bound to Fab BL3-6 S97N | 分子名称: | Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, MAGNESIUM ION, ... | 著者 | Krochmal, D, Lewicka, A, Piccirilli, J.A. | 登録日 | 2023-10-30 | 公開日 | 2024-04-10 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural basis for promiscuity in ligand recognition by yjdF riboswitch. Cell Discov, 10, 2024
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6SX3
| Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure | 分子名称: | VK2, ~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide | 著者 | Kotar, A, Kocman, V, Plavec, J. | 登録日 | 2019-09-24 | 公開日 | 2019-12-11 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Intercalation of a Heterocyclic Ligand between Quartets in a G-Rich Tetrahelical Structure. Chemistry, 26, 2020
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6SV5
| Amicoumacin kinase AmiN in complex with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Phosphotransferase enzyme family protein, amicoumacin kinase | 著者 | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | 登録日 | 2019-09-17 | 公開日 | 2020-07-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding. Sci Adv, 6, 2020
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8PST
| ERK2 covelently bound to RU60 cyclohexenone based inhibitor | 分子名称: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | 著者 | Sok, P, Poti, A, Remenyi, A, Gogl, G. | 登録日 | 2023-07-13 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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6N2X
| Anti-HIV-1 Fab 2G12 + Man9 re-refinement | 分子名称: | Fab 2G12 heavy chain, Fab 2G12 light chain, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | 登録日 | 2018-11-14 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition. Science, 300, 2003
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8PT9
| JNK1 covalently bound to BD838 cyclohexenone based inhibitor | 分子名称: | Mitogen-activated protein kinase 8, methyl (1S,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | 著者 | Sok, P, Poti, A, Remenyi, A. | 登録日 | 2023-07-13 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond To Be Published
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6PJD
| HIV-1 Protease NL4-3 WT in Complex with LR2-32 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2019-06-28 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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6PEY
| MTHFR with mutation Asp120Ala | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase | 著者 | Gallagher, E.L, Gurney, L.A, Frasco, F.G, Trimmer, E, Bolen, R.L, Collins, K, Garland, E, Halloran, J, Handley-Pendelton, J, Hernandez, V, Leffler, S, Perez, A, Soares, A, Stojanoff, V, Williams, D. | 登録日 | 2019-06-21 | 公開日 | 2019-09-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Examination of Asp120Ala a Chemically Important Novel Mutation in the Enzyme Mthylenetetrahydrofolate Reductase To be published
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7TFF
| Crystal structure of human platelet phosphofructokinase-1 mutant- D564N | 分子名称: | ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ... | 著者 | Hansen, H, Webb, B.A, Robart, A.R, Narayanasami, S. | 登録日 | 2022-01-06 | 公開日 | 2023-07-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Cancer-associated somatic mutations in human phosphofructokinase-1 reveal a critical electrostatic interaction for allosteric regulation of enzyme activity. Biochem.J., 480, 2023
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