8OI4
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![BU of 8oi4 by Molmil](/molmil-images/mine/8oi4) | Metagenomic Beta-galactosidase from Glycoside Hydrolase family GH154 | 分子名称: | Beta-galactosidase, CHLORIDE ION, GLYCEROL | 著者 | Pijning, T, Hameleers, L, Jurak, E, Guskov, A. | 登録日 | 2023-03-22 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Novel beta-galactosidase activity and first crystal structure of Glycoside Hydrolase family 154. N Biotechnol, 80, 2023
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3PSA
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![BU of 3psa by Molmil](/molmil-images/mine/3psa) | Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to tungstate) | 分子名称: | TUNGSTATE(VI)ION, protein HI_1472 | 著者 | Tirado-Lee, L, Lee, A, Rees, D.C, Pinkett, H.W. | 登録日 | 2010-12-01 | 公開日 | 2011-11-30 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA. Structure, 19, 2011
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3PSH
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![BU of 3psh by Molmil](/molmil-images/mine/3psh) | Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to Molybdate) | 分子名称: | MOLYBDATE ION, protein HI_1472 | 著者 | Tirado-Lee, L, Lee, A, Rees, D.C, Pinkett, H.W. | 登録日 | 2010-12-01 | 公開日 | 2011-11-30 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA. Structure, 19, 2011
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4CPV
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2R2M
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![BU of 2r2m by Molmil](/molmil-images/mine/2r2m) | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors | 分子名称: | Hirudin-3A, N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | 著者 | Spurlino, J. | 登録日 | 2007-08-27 | 公開日 | 2008-08-26 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors Bioorg.Med.Chem.Lett., 17, 2007
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6TKX
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![BU of 6tkx by Molmil](/molmil-images/mine/6tkx) | |
6XYC
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![BU of 6xyc by Molmil](/molmil-images/mine/6xyc) | |
6NUI
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![BU of 6nui by Molmil](/molmil-images/mine/6nui) | Human Guanylate Kinase | 分子名称: | Guanylate kinase | 著者 | Sabo, T.M, Khan, N, Ban, D, Trigo-Mourino, P, Carneiro, M.G, Trent, J.O, Konrad, M, Lee, D. | 登録日 | 2019-02-01 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure and functional investigation of human guanylate kinase reveals allosteric networking and a crucial role for the enzyme in cancer. J.Biol.Chem., 294, 2019
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8EZB
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![BU of 8ezb by Molmil](/molmil-images/mine/8ezb) | NHEJ Long-range complex with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... | 著者 | Chen, S, He, Y. | 登録日 | 2022-10-31 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (8.9 Å) | 主引用文献 | Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ. Sci Adv, 9, 2023
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8EZA
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![BU of 8eza by Molmil](/molmil-images/mine/8eza) | NHEJ Long-range complex with PAXX | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... | 著者 | Chen, S, He, Y. | 登録日 | 2022-10-31 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.39 Å) | 主引用文献 | Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ. Sci Adv, 9, 2023
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8EZ9
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![BU of 8ez9 by Molmil](/molmil-images/mine/8ez9) | Dimeric complex of DNA-PKcs | 分子名称: | DNA-dependent protein kinase catalytic subunit, unknown region of DNA-PKcs | 著者 | Chen, S, He, Y. | 登録日 | 2022-10-31 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (5.67 Å) | 主引用文献 | Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ. Sci Adv, 9, 2023
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3U2Q
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7LT3
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![BU of 7lt3 by Molmil](/molmil-images/mine/7lt3) | NHEJ Long-range synaptic complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... | 著者 | He, Y, Chen, S. | 登録日 | 2021-02-18 | 公開日 | 2021-04-14 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Structural basis of long-range to short-range synaptic transition in NHEJ. Nature, 593, 2021
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7LSY
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![BU of 7lsy by Molmil](/molmil-images/mine/7lsy) | NHEJ Short-range synaptic complex | 分子名称: | DNA (26-MER), DNA (5'-D(P*CP*AP*AP*TP*GP*AP*AP*AP*CP*GP*GP*AP*AP*CP*AP*GP*TP*CP*AP*G)-3'), DNA (5'-D(P*GP*TP*TP*CP*TP*TP*AP*GP*TP*AP*TP*AP*TP*A)-3'), ... | 著者 | He, Y, Chen, S. | 登録日 | 2021-02-18 | 公開日 | 2021-04-14 | 最終更新日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (8.4 Å) | 主引用文献 | Structural basis of long-range to short-range synaptic transition in NHEJ. Nature, 593, 2021
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7N03
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![BU of 7n03 by Molmil](/molmil-images/mine/7n03) | Crystal structure of MTH1 in complex with compound 31 | 分子名称: | 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Eron, S.J. | 登録日 | 2021-05-24 | 公開日 | 2021-11-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Development of an AchillesTAG degradation system and its application to control CAR-T activity Curr Res Chem Biol, 1, 2021
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7N13
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![BU of 7n13 by Molmil](/molmil-images/mine/7n13) | Crystal structure of MTH1 in complex with compound 32 | 分子名称: | 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Eron, S.J. | 登録日 | 2021-05-26 | 公開日 | 2021-11-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Development of an AchillesTAG degradation system and its application to control CAR-T activity Curr Res Chem Biol, 1, 2021
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5BVN
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![BU of 5bvn by Molmil](/molmil-images/mine/5bvn) | Fragment-based discovery of potent and selective DDR1/2 inhibitors | 分子名称: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide | 著者 | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | 登録日 | 2015-06-05 | 公開日 | 2015-08-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5BVK
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![BU of 5bvk by Molmil](/molmil-images/mine/5bvk) | Fragment-based discovery of potent and selective DDR1/2 inhibitors | 分子名称: | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea, Epithelial discoidin domain-containing receptor 1, IODIDE ION | 著者 | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | 登録日 | 2015-06-05 | 公開日 | 2015-08-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5BVO
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![BU of 5bvo by Molmil](/molmil-images/mine/5bvo) | Fragment-based discovery of potent and selective DDR1/2 inhibitors | 分子名称: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide | 著者 | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | 登録日 | 2015-06-05 | 公開日 | 2015-08-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5BVW
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![BU of 5bvw by Molmil](/molmil-images/mine/5bvw) | Fragment-based discovery of potent and selective DDR1/2 inhibitors | 分子名称: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | 著者 | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | 登録日 | 2015-06-05 | 公開日 | 2015-08-05 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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3L13
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![BU of 3l13 by Molmil](/molmil-images/mine/3l13) | Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors | 分子名称: | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol | 著者 | Murray, J.M, Wiesmann, C. | 登録日 | 2009-12-10 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3L17
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![BU of 3l17 by Molmil](/molmil-images/mine/3l17) | Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer | 分子名称: | 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Wiesmann, C. | 登録日 | 2009-12-10 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3L16
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![BU of 3l16 by Molmil](/molmil-images/mine/3l16) | Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer | 分子名称: | 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Wiesmann, C. | 登録日 | 2009-12-10 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3NZU
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3NZS
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