6AL6
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![BU of 6al6 by Molmil](/molmil-images/mine/6al6) | Crystal structure HpiC1 in P42 space group | 分子名称: | 12-epi-hapalindole C/U synthase, CALCIUM ION | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | 登録日 | 2017-08-07 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.088 Å) | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6AB2
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![BU of 6ab2 by Molmil](/molmil-images/mine/6ab2) | Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with oClZLys | 分子名称: | (2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Yanagisawa, T, Kuratani, M, Yokoyama, S. | 登録日 | 2018-07-19 | 公開日 | 2019-04-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase. Cell Chem Biol, 26, 2019
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1UH1
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![BU of 1uh1 by Molmil](/molmil-images/mine/1uh1) | Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-methyl alpha-D-galactopyranoside, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | 著者 | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2003-06-23 | 公開日 | 2003-09-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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6AJX
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![BU of 6ajx by Molmil](/molmil-images/mine/6ajx) | Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO | 分子名称: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | 登録日 | 2018-08-28 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.887 Å) | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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5SE8
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![BU of 5se8 by Molmil](/molmil-images/mine/5se8) | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide | 分子名称: | 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dihydro-1H-pyrazole-3-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Koerner, M, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SFO
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![BU of 5sfo by Molmil](/molmil-images/mine/5sfo) | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-3-carboxamide | 分子名称: | 4-(azetidine-1-carbonyl)-2-methyl-N-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}-2,5-dihydro-1H-pyrazole-3-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Koerner, M, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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6AJ8
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![BU of 6aj8 by Molmil](/molmil-images/mine/6aj8) | Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADP+, alpha-ketoglutarate and ca2+ | 分子名称: | 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | 著者 | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | 登録日 | 2018-08-27 | 公開日 | 2019-08-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+) To Be Published
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1IUA
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![BU of 1iua by Molmil](/molmil-images/mine/1iua) | Ultra-high resolution structure of HiPIP from Thermochromatium tepidum | 分子名称: | High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, SULFATE ION | 著者 | Liu, L, Nogi, T, Kobayashi, M, Nozawa, T, Miki, K. | 登録日 | 2002-03-01 | 公開日 | 2002-03-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | 主引用文献 | Ultrahigh-resolution structure of high-potential iron-sulfur protein from Thermochromatium tepidum. Acta Crystallogr.,Sect.D, 58, 2002
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6AJZ
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![BU of 6ajz by Molmil](/molmil-images/mine/6ajz) | Joint nentron and X-ray structure of BRD4 in complex with colchicin | 分子名称: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, SODIUM ION | 著者 | Yokoyama, T, Ostermann, A, Schrader, T.E, Nabeshima, Y, Mizuguchi, M. | 登録日 | 2018-08-28 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-27 | 実験手法 | NEUTRON DIFFRACTION (1.301 Å), X-RAY DIFFRACTION | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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5SFN
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![BU of 5sfn by Molmil](/molmil-images/mine/5sfn) | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-carboxamide | 分子名称: | 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Koerner, M, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2022-01-21 | 公開日 | 2022-10-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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1U4N
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![BU of 1u4n by Molmil](/molmil-images/mine/1u4n) | Crystal Structure Analysis of the M211S/R215L EST2 mutant | 分子名称: | CARBOXYLESTERASE EST2, SULFATE ION | 著者 | De Simone, G, Menchise, V, Alterio, V, Mandrich, L, Rossi, M, Manco, G, Pedone, C. | 登録日 | 2004-07-26 | 公開日 | 2004-10-05 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Crystal Structure of an EST2 Mutant Unveils Structural Insights on the H Group of the Carboxylesterase/Lipase Family. J.Mol.Biol., 343, 2004
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6AM3
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![BU of 6am3 by Molmil](/molmil-images/mine/6am3) | |
6AEB
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![BU of 6aeb by Molmil](/molmil-images/mine/6aeb) | Crystal structure of xCas9 in complex with sgRNA and target DNA (AAG PAM) | 分子名称: | DNA (25-MER), DNA (5'-D(*AP*AP*AP*AP*AP*GP*TP*AP*TP*TP*G)-3'), DNA Nuclease, ... | 著者 | Guo, M, Ren, K, Zhu, Y, Huang, Z. | 登録日 | 2018-08-04 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.004 Å) | 主引用文献 | Structural insights into a high fidelity variant of SpCas9. Cell Res., 29, 2019
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6ACR
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![BU of 6acr by Molmil](/molmil-images/mine/6acr) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | 分子名称: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | 登録日 | 2018-07-27 | 公開日 | 2019-03-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H). Chem. Pharm. Bull., 67, 2019
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2M1G
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![BU of 2m1g by Molmil](/molmil-images/mine/2m1g) | Parallel human telomeric quadruplex containing 2'F-ANA substitutions | 分子名称: | 5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*(GFL)P*GP*GP*T)-3' | 著者 | Martin-Pintado, N, Yahyaee-Anzahaee, M, Deleavey, G.F, Portella, G, Orozco, M, Damha, M.J, Gonzalez, C. | 登録日 | 2012-11-27 | 公開日 | 2013-05-08 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Dramatic effect of furanose c2' substitution on structure and stability: directing the folding of the human telomeric quadruplex with a single fluorine atom. J.Am.Chem.Soc., 135, 2013
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6AID
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![BU of 6aid by Molmil](/molmil-images/mine/6aid) | Structural insights into the unique polylactate degrading mechanism of Thermobifida alba cutinase | 分子名称: | CALCIUM ION, Esterase, LACTIC ACID, ... | 著者 | Kitadokoro, K, Kakara, M, Matsui, S, Osokoshi, R, Thumarat, U, Kawai, F, Kamitani, S. | 登録日 | 2018-08-22 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structural insights into the unique polylactate-degrading mechanism of Thermobifida alba cutinase. Febs J., 286, 2019
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2M44
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![BU of 2m44 by Molmil](/molmil-images/mine/2m44) | DNA containing a cluster of 8-oxo-guanine and abasic site lesion: beta anomer (6AP, 8OG14) | 分子名称: | DNA (5'-D(*CP*GP*CP*TP*CP*(AAB)P*CP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*(8OG)P*TP*GP*GP*GP*AP*GP*CP*G)-3') | 著者 | Zalesak, J, Jourdan, M, Constant, J, Lourdin, M. | 登録日 | 2013-01-29 | 公開日 | 2014-01-08 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and dynamics of DNA duplexes containing a cluster of mutagenic 8-oxoguanine and abasic site lesions. J.Mol.Biol., 426, 2014
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6AL8
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![BU of 6al8 by Molmil](/molmil-images/mine/6al8) | Crystal structure HpiC1 Y101F/F138S | 分子名称: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | 登録日 | 2017-08-07 | 公開日 | 2018-03-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.641 Å) | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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2M63
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![BU of 2m63 by Molmil](/molmil-images/mine/2m63) | The protease-resistant N-terminal domain of TIR-domain containing adaptor molecule-1, TICAM-1 | 分子名称: | TIR domain-containing adapter molecule 1 | 著者 | Kumeta, H, Enokizono, Y, Sakakibara, H, Ogura, K, Matsumoto, M, Seya, T, Inagaki, F. | 登録日 | 2013-03-20 | 公開日 | 2014-03-05 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | The N-terminal domain of TIR domain-containing adaptor molecule-1, TICAM-1. J.Biomol.Nmr, 58, 2014
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1UGW
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![BU of 1ugw by Molmil](/molmil-images/mine/1ugw) | Crystal structure of jacalin- Gal complex | 分子名称: | Agglutinin alpha chain, Agglutinin alpha-chain, Agglutinin beta-3 chain, ... | 著者 | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2003-06-22 | 公開日 | 2003-09-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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6AJW
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![BU of 6ajw by Molmil](/molmil-images/mine/6ajw) | Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4) | 分子名称: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, SODIUM ION | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | 登録日 | 2018-08-28 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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1WO2
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![BU of 1wo2 by Molmil](/molmil-images/mine/1wo2) | Crystal structure of the pig pancreatic alpha-amylase complexed with malto-oligosaacharides under the effect of the chloride ion | 分子名称: | 1,2-ETHANEDIOL, Alpha-amylase, pancreatic, ... | 著者 | Qian, M, Payan, F, Nahoum, V. | 登録日 | 2004-08-11 | 公開日 | 2005-03-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Molecular Basis of the Effects of Chloride Ion on the Acid-Base Catalyst in the Mechanism of Pancreatic alpha-Amylase Biochemistry, 44, 2005
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6AKM
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![BU of 6akm by Molmil](/molmil-images/mine/6akm) | Crystal structure of SLMAP-SIKE1 complex | 分子名称: | GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1 | 著者 | Ma, J, Chen, M, Zhou, Z.C. | 登録日 | 2018-09-02 | 公開日 | 2019-01-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
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2MNJ
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![BU of 2mnj by Molmil](/molmil-images/mine/2mnj) | NMR solution structure of the yeast Pih1 and Tah1 C-terminal domains complex | 分子名称: | Protein interacting with Hsp90 1, TPR repeat-containing protein associated with Hsp90 | 著者 | Quinternet, M, Jacquemin, C, Charpentier, B, Manival, X. | 登録日 | 2014-04-08 | 公開日 | 2015-08-05 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure/Function Analysis of Protein-Protein Interactions Developed by the Yeast Pih1 Platform Protein and Its Partners in Box C/D snoRNP Assembly. J.Mol.Biol., 427, 2015
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2MMZ
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![BU of 2mmz by Molmil](/molmil-images/mine/2mmz) | Solution structure of the apo form of human glutaredoxin 5 | 分子名称: | Glutaredoxin-related protein 5, mitochondrial | 著者 | Banci, L, Brancaccio, D, Ciofi-Baffoni, S, Del Conte, R, Gadepalli, R, Mikolajczyk, M, Neri, S, Piccioli, M, Winkelmann, J. | 登録日 | 2014-03-25 | 公開日 | 2014-04-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | [2Fe-2S] cluster transfer in iron-sulfur protein biogenesis. Proc.Natl.Acad.Sci.USA, 111, 2014
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