5NRF
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i | 分子名称: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | 著者 | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | 登録日 | 2017-04-22 | 公開日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (1.447 Å) | 主引用文献 | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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5NRA
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7g | 分子名称: | 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | 著者 | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | 登録日 | 2017-04-22 | 公開日 | 2018-03-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.267 Å) | 主引用文献 | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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4IXU
| Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) | 分子名称: | Arginase-2, mitochondrial, BENZAMIDINE, ... | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | 登録日 | 2013-01-28 | 公開日 | 2013-12-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction. Bioorg.Med.Chem.Lett., 23, 2013
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4IXV
| Crystal structure of human Arginase-2 complexed with inhibitor 2d: {(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-) | 分子名称: | Arginase-2, mitochondrial, BENZAMIDINE, ... | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | 登録日 | 2013-01-28 | 公開日 | 2013-12-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction. Bioorg.Med.Chem.Lett., 23, 2013
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5NR8
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a | 分子名称: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, Chitotriosidase-1, GLYCEROL | 著者 | Podjarny, A, Fadel, F, Golebiowski, A. | 登録日 | 2017-04-22 | 公開日 | 2018-02-21 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.349 Å) | 主引用文献 | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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6ZE8
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01 | 分子名称: | 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine, Chitotriosidase-1, GLYCEROL, ... | 著者 | Nowotny, M, Bartlomiejczak, A, Napiorkowska-Gromadzka, A. | 登録日 | 2020-06-16 | 公開日 | 2020-11-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis. J.Med.Chem., 63, 2020
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8R41
| Structure of CHI3L1 in complex with inhibitor 1 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | 著者 | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | 登録日 | 2023-11-10 | 公開日 | 2024-03-13 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1. J.Med.Chem., 67, 2024
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8R4X
| Structure of Chitinase-3-like protein 1 in complex with inhibitor 30 | 分子名称: | (2~{S},5~{S})-4-[1-(4-chloranylpyridin-2-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methyl-morpholine, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | 登録日 | 2023-11-14 | 公開日 | 2024-03-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1. J.Med.Chem., 67, 2024
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8R42
| Structure of CHI3L1 in complex with inhibititor 2 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | 登録日 | 2023-11-10 | 公開日 | 2024-03-13 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1. J.Med.Chem., 67, 2024
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