6TL8
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![BU of 6tl8 by Molmil](/molmil-images/mine/6tl8) | Structural basis of SALM3 dimerization and adhesion complex formation with the presynaptic receptor protein tyrosine phosphatases | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Myeloid cell surface antigen CD33,Leucine-rich repeat and fibronectin type-III domain-containing protein 4 | 著者 | Karki, S, Shkumatov, A.V, Bae, S, Ko, J, Kajander, T. | 登録日 | 2019-12-02 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural basis of SALM3 dimerization and synaptic adhesion complex formation with PTP sigma. Sci Rep, 10, 2020
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5YSS
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![BU of 5yss by Molmil](/molmil-images/mine/5yss) | |
5ZXB
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![BU of 5zxb by Molmil](/molmil-images/mine/5zxb) | Crystal structure of ACK1 with compound 10d | 分子名称: | Activated CDC42 kinase 1, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | 著者 | Hong, E.M, Kim, H.L, Sim, T.B. | 登録日 | 2018-05-18 | 公開日 | 2018-09-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia. J. Med. Chem., 61, 2018
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7CHT
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![BU of 7cht by Molmil](/molmil-images/mine/7cht) | Crystal structure of TTK kinase domain in complex with compound 30 | 分子名称: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | 登録日 | 2020-07-06 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CHM
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![BU of 7chm by Molmil](/molmil-images/mine/7chm) | Crystal structure of TTK kinase domain in complex with compound 8 | 分子名称: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-06 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CHN
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![BU of 7chn by Molmil](/molmil-images/mine/7chn) | Crystal structure of TTK kinase domain in complex with compound 9 | 分子名称: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-06 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CLH
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![BU of 7clh by Molmil](/molmil-images/mine/7clh) | Crystal structure of TTK kinase domain in complex with compound 19 | 分子名称: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-21 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CJA
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![BU of 7cja by Molmil](/molmil-images/mine/7cja) | Crystal structure of TTK kinase domain in complex with compound 28 | 分子名称: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-09 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CIL
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![BU of 7cil by Molmil](/molmil-images/mine/7cil) | Crystal structure of TTK kinase domain in complex with compound 7 | 分子名称: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | 著者 | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | 登録日 | 2020-07-07 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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3WUV
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![BU of 3wuv by Molmil](/molmil-images/mine/3wuv) | |
3WUU
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![BU of 3wuu by Molmil](/molmil-images/mine/3wuu) | |
8HFB
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![BU of 8hfb by Molmil](/molmil-images/mine/8hfb) | Evolved variant of quercetin 2,4-dioxygenase from Bacillus subtilis | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, NICKEL (II) ION, ... | 著者 | Eom, H, Song, W.J. | 登録日 | 2022-11-10 | 公開日 | 2023-03-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Underlying Role of Hydrophobic Environments in Tuning Metal Elements for Efficient Enzyme Catalysis. J.Am.Chem.Soc., 145, 2023
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3WUT
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![BU of 3wut by Molmil](/molmil-images/mine/3wut) | Structure basis of inactivating cell abscission | 分子名称: | Centrosomal protein of 55 kDa, GLYCEROL, Inactive serine/threonine-protein kinase TEX14 | 著者 | Kim, H.J, Matsuura, A, Lee, H.H. | 登録日 | 2014-05-05 | 公開日 | 2015-07-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Structural and biochemical insights into the role of testis-expressed gene 14 (TEX14) in forming the stable intercellular bridges of germ cells. Proc.Natl.Acad.Sci.USA, 112, 2015
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3SH5
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![BU of 3sh5 by Molmil](/molmil-images/mine/3sh5) | |
3SH4
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![BU of 3sh4 by Molmil](/molmil-images/mine/3sh4) | |
5Z59
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![BU of 5z59 by Molmil](/molmil-images/mine/5z59) | Crystal structure of Tk-PTP in the inactive form | 分子名称: | Protein-tyrosine phosphatase | 著者 | Ku, B, Yun, H.Y, Kim, S.J. | 登録日 | 2018-01-17 | 公開日 | 2018-06-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.703 Å) | 主引用文献 | Structural study reveals the temperature-dependent conformational flexibility of Tk-PTP, a protein tyrosine phosphatase from Thermococcus kodakaraensis KOD1 PLoS ONE, 13, 2018
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5Z5B
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![BU of 5z5b by Molmil](/molmil-images/mine/5z5b) | Crystal structure of Tk-PTP in the G95A mutant form | 分子名称: | CHLORIDE ION, FORMIC ACID, Protein-tyrosine phosphatase | 著者 | Ku, B, Yun, H.Y, Kim, S.J. | 登録日 | 2018-01-17 | 公開日 | 2018-06-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural study reveals the temperature-dependent conformational flexibility of Tk-PTP, a protein tyrosine phosphatase from Thermococcus kodakaraensis KOD1 PLoS ONE, 13, 2018
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5Z5A
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![BU of 5z5a by Molmil](/molmil-images/mine/5z5a) | Crystal structure of Tk-PTP in the active form | 分子名称: | Protein-tyrosine phosphatase, VANADATE ION | 著者 | Ku, B, Yun, H.Y, Kim, S.J. | 登録日 | 2018-01-17 | 公開日 | 2018-07-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural study reveals the temperature-dependent conformational flexibility of Tk-PTP, a protein tyrosine phosphatase from Thermococcus kodakaraensis KOD1 PLoS ONE, 13, 2018
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6KBM
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![BU of 6kbm by Molmil](/molmil-images/mine/6kbm) | Crystal structure of Vac8 bound to Atg13 | 分子名称: | Autophagy-related protein 13, Vacuolar protein 8 | 著者 | Park, J, Lee, C. | 登録日 | 2019-06-25 | 公開日 | 2019-11-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | 主引用文献 | Quaternary structures of Vac8 differentially regulate the Cvt and PMN pathways. Autophagy, 16, 2020
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6KBN
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![BU of 6kbn by Molmil](/molmil-images/mine/6kbn) | |
7DIB
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![BU of 7dib by Molmil](/molmil-images/mine/7dib) | |
3H0T
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![BU of 3h0t by Molmil](/molmil-images/mine/3h0t) | Hepcidin-Fab complex | 分子名称: | Fab fragment, Heavy chain, Light chain, ... | 著者 | Syed, R, Li, V. | 登録日 | 2009-04-10 | 公開日 | 2009-06-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Hepcidin revisited, disulfide connectivity, dynamics, and structure. J.Biol.Chem., 284, 2009
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7VFN
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![BU of 7vfn by Molmil](/molmil-images/mine/7vfn) | Crystal structure of SdgB (SD peptide-binding form) | 分子名称: | ASP-SER-ASP, Glycosyl transferase, group 1 family protein | 著者 | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | 登録日 | 2021-09-13 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins. Acta Crystallogr D Struct Biol, 77, 2021
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7VFM
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![BU of 7vfm by Molmil](/molmil-images/mine/7vfm) | Crystal structure of SdgB (UDP and SD peptide-binding form) | 分子名称: | Glycosyl transferase, group 1 family protein, SER-ASP-SER-ASP, ... | 著者 | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | 登録日 | 2021-09-13 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins. Acta Crystallogr D Struct Biol, 77, 2021
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7VFL
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![BU of 7vfl by Molmil](/molmil-images/mine/7vfl) | Crystal structure of SdgB (UDP, NAG, and O-glycosylated SD peptide-binding form) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, group 1 family protein, ... | 著者 | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | 登録日 | 2021-09-13 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins. Acta Crystallogr D Struct Biol, 77, 2021
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