3VWM
| Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187A/H266N/D370Y mutant | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | 著者 | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | 登録日 | 2012-08-30 | 公開日 | 2013-10-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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5BXS
| LNBase in complex with LNB-NHAcCAS | 分子名称: | 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, Lacto-N-biosidase, SULFATE ION, ... | 著者 | Ito, T, Arakawa, T, Fushinobu, S. | 登録日 | 2015-06-09 | 公開日 | 2015-09-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis Chem.Commun.(Camb.), 51, 2015
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3VWQ
| 6-aminohexanoate-dimer hydrolase S112A/G181D/R187A/H266N/D370Y mutant complexd with 6-aminohexanoate | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | 著者 | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | 登録日 | 2012-08-30 | 公開日 | 2013-10-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction to be published
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5BXR
| LNBase in complex with LNB-NHAcDNJ | 分子名称: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Lacto-N-biosidase, SULFATE ION, ... | 著者 | Ito, T, Arakawa, T, Fushinobu, S. | 登録日 | 2015-06-09 | 公開日 | 2015-09-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis Chem.Commun.(Camb.), 51, 2015
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3VWP
| Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187S/H266N/D370Y mutant complexd with 6-aminohexanoate | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | 著者 | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | 登録日 | 2012-08-30 | 公開日 | 2013-10-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction to be published
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3VWN
| Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | 著者 | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | 登録日 | 2012-08-30 | 公開日 | 2013-10-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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4WDT
| 17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol | 分子名称: | 2-nitro-5-(phenylsulfonyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Amano, Y, Yamaguchi, T. | 登録日 | 2014-09-09 | 公開日 | 2015-04-15 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
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5JGA
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c | 分子名称: | N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | 登録日 | 2016-04-19 | 公開日 | 2016-07-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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6E9A
| HIV-1 WILD TYPE PROTEASE WITH GRL-034-17A, (3aS, 5R, 6aR)-2-OXOHEXAHYD CYCLOPENTA[D]-5-OXAZOLYL URETHANE WITH A BICYCLIC OXAZOLIDINONE SCAFF AS THE P2 LIGAND | 分子名称: | (3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2018-07-31 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61, 2018
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4YN5
| Catalytic domain of Bacillus sp. JAMB-750 GH26 Endo-beta-1,4-mannanase | 分子名称: | CACODYLATE ION, Mannan endo-1,4-beta-mannosidase | 著者 | Shimane, Y, Ohta, Y, Usami, R, Hatada, Y. | 登録日 | 2015-03-09 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of Bacillus sp. JAMB-750 GH26 Endo-beta-1,4-mannanase To Be Published
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5JGB
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | 分子名称: | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | 登録日 | 2016-04-20 | 公開日 | 2016-07-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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5ULT
| HIV-1 wild Type protease with GRL-100-13A (a Crown-like Oxotricyclic Core as the P2-Ligand with the sulfonamide isostere as the P2' group) | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2017-01-25 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants. J. Med. Chem., 60, 2017
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5BXT
| LNBase in complex with LNB-NHAcAUS | 分子名称: | Lacto-N-biosidase, N-{[(1R,2R,3R,7S,7aR)-1,2,7-trihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide, SULFATE ION, ... | 著者 | Ito, T, Arakawa, T, Fushinobu, S. | 登録日 | 2015-06-09 | 公開日 | 2015-09-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis Chem.Commun.(Camb.), 51, 2015
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3VWL
| Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | 著者 | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | 登録日 | 2012-08-30 | 公開日 | 2013-10-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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3VJI
| Human PPAR gamma ligand binding domain in complex with JKPL53 | 分子名称: | (2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | 登録日 | 2011-10-20 | 公開日 | 2012-08-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J.Med.Chem., 55, 2012
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8Y4U
| Crystal structure of a His1 from oryza sativa | 分子名称: | FE (III) ION, Fe(II)/2-oxoglutarate-dependent oxygenase | 著者 | Wang, N, Ma, J.M, Shibing, H, Beibei, Y, He, Z, Dandan, L. | 登録日 | 2024-01-30 | 公開日 | 2024-02-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of HPPD inhibitor sensitive protein from Oryza sativa. Biochem.Biophys.Res.Commun., 704, 2024
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2RR2
| Structure of O-fucosylated epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | 分子名称: | Neurogenic locus notch homolog protein 1, alpha-L-fucopyranose | 著者 | Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S. | 登録日 | 2010-02-26 | 公開日 | 2010-10-13 | 最終更新日 | 2020-07-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor J.Am.Chem.Soc., 132, 2010
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2RR0
| Structure of epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | 分子名称: | Neurogenic locus notch homolog protein 1 | 著者 | Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S. | 登録日 | 2010-02-26 | 公開日 | 2010-10-13 | 最終更新日 | 2011-07-13 | 実験手法 | SOLUTION NMR | 主引用文献 | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor J.Am.Chem.Soc., 132, 2010
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2RQZ
| Structure of sugar modified epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, Neurogenic locus notch homolog protein 1 | 著者 | Shimizu, K, Fujitani, N, Hosoguchi, K, Nishimura, S. | 登録日 | 2010-02-26 | 公開日 | 2010-10-13 | 最終更新日 | 2020-07-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor J.Am.Chem.Soc., 132, 2010
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2RVH
| NMR structure of eIF1 | 分子名称: | Eukaryotic translation initiation factor eIF-1 | 著者 | Nagata, T, Obayashi, E, Asano, K. | 登録日 | 2015-10-16 | 公開日 | 2016-10-26 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Molecular Landscape of the Ribosome Pre-initiation Complex during mRNA Scanning: Structural Role for eIF3c and Its Control by eIF5 Cell Rep, 18, 2017
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1PPP
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6T9C
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1J1E
| Crystal structure of the 52kDa domain of human cardiac troponin in the Ca2+ saturated form | 分子名称: | CALCIUM ION, Troponin C, Troponin I, ... | 著者 | Takeda, S, Yamashita, A, Maeda, K, Maeda, Y. | 登録日 | 2002-12-03 | 公開日 | 2003-07-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structure of the core domain of human cardiac troponin in the Ca2+-saturated form Nature, 424, 2003
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7Y6A
| Crystal structure of Chicken Egg Lysozyme | 分子名称: | Lysozyme C, NITRATE ION | 著者 | DeMirci, H. | 登録日 | 2022-06-18 | 公開日 | 2023-04-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Cryogenic X-ray crystallographic studies of biomacromolecules at Turkish Light Source " Turkish DeLight ". Turk J Biol, 47, 2023
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5JFU
| HIV-1 wild Type protease with GRL-007-14A (a Adamantane P1-Ligand with bis-THF in P2 and benzylamine in P1') | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate, CHLORIDE ION, Protease | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2016-04-19 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation. J.Med.Chem., 59, 2016
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