7SUF
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![BU of 7suf by Molmil](/molmil-images/mine/7suf) | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 06 | 分子名称: | 1,2-ETHANEDIOL, 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine, Serine/threonine-protein kinase Chk1 | 著者 | Palte, R.L. | 登録日 | 2021-11-17 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J.Med.Chem., 65, 2022
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7SUH
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![BU of 7suh by Molmil](/molmil-images/mine/7suh) | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 15 | 分子名称: | 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol, Serine/threonine-protein kinase Chk1 | 著者 | Palte, R.L. | 登録日 | 2021-11-17 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J.Med.Chem., 65, 2022
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7SUJ
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![BU of 7suj by Molmil](/molmil-images/mine/7suj) | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 24 | 分子名称: | (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol, Serine/threonine-protein kinase Chk1 | 著者 | Palte, R.L. | 登録日 | 2021-11-17 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J.Med.Chem., 65, 2022
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7SUG
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![BU of 7sug by Molmil](/molmil-images/mine/7sug) | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09 | 分子名称: | 1,2-ETHANEDIOL, 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Palte, R.L. | 登録日 | 2021-11-17 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J.Med.Chem., 65, 2022
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8XRT
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![BU of 8xrt by Molmil](/molmil-images/mine/8xrt) | The crystal structure of a GH3 enzyme CcBgl3B | 分子名称: | CALCIUM ION, GH3 enzyme CcBgl3B | 著者 | Su, J.Y. | 登録日 | 2024-01-08 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8XRV
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![BU of 8xrv by Molmil](/molmil-images/mine/8xrv) | The crystal structure of a GH3 enzyme CcBgl3B with glucose | 分子名称: | CALCIUM ION, GH3 enzyme CcBgl3B, beta-D-glucopyranose | 著者 | Su, J.Y. | 登録日 | 2024-01-08 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8XRU
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![BU of 8xru by Molmil](/molmil-images/mine/8xru) | The crystal structure of a GH3 enzyme CcBgl3B with glycerol | 分子名称: | CALCIUM ION, GH3 enzyme CcBgl3B, GLYCEROL | 著者 | Su, J.Y. | 登録日 | 2024-01-08 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8XRX
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![BU of 8xrx by Molmil](/molmil-images/mine/8xrx) | |
6H3R
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![BU of 6h3r by Molmil](/molmil-images/mine/6h3r) | |
4ZXD
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![BU of 4zxd by Molmil](/molmil-images/mine/4zxd) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD | 分子名称: | Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | 登録日 | 2015-05-20 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.052 Å) | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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4ZXC
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![BU of 4zxc by Molmil](/molmil-images/mine/4zxc) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+ | 分子名称: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | 登録日 | 2015-05-20 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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4ZXA
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![BU of 4zxa by Molmil](/molmil-images/mine/4zxa) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Cd2+ and 4-hydroxybenzonitrile | 分子名称: | 4-hydroxybenzonitrile, CADMIUM ION, Hydroquinone dioxygenase large subunit, ... | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | 登録日 | 2015-05-20 | 公開日 | 2015-09-02 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.488 Å) | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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4S0T
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![BU of 4s0t by Molmil](/molmil-images/mine/4s0t) | |
4S0S
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![BU of 4s0s by Molmil](/molmil-images/mine/4s0s) | |
5GZE
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![BU of 5gze by Molmil](/molmil-images/mine/5gze) | |
5GZG
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![BU of 5gzg by Molmil](/molmil-images/mine/5gzg) | |
5GZC
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![BU of 5gzc by Molmil](/molmil-images/mine/5gzc) | |
5GZD
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![BU of 5gzd by Molmil](/molmil-images/mine/5gzd) | |
5GZF
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![BU of 5gzf by Molmil](/molmil-images/mine/5gzf) | |
7N1R
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![BU of 7n1r by Molmil](/molmil-images/mine/7n1r) | A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP | 分子名称: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ... | 著者 | Yang, J, Musayev, F, Liu, Q. | 登録日 | 2021-05-28 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP). Protein Sci., 31, 2022
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5DG2
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![BU of 5dg2 by Molmil](/molmil-images/mine/5dg2) | Sugar binding protein - human galectin-2 (dimer) | 分子名称: | Galectin-2, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Su, J.Y, Si, Y.L. | 登録日 | 2015-08-27 | 公開日 | 2016-09-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.612 Å) | 主引用文献 | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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5DG1
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![BU of 5dg1 by Molmil](/molmil-images/mine/5dg1) | Sugar binding protein - human galectin-2 | 分子名称: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Su, J.Y, Si, Y.L. | 登録日 | 2015-08-27 | 公開日 | 2016-09-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim.Biophys.Sin., 2016
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5EWS
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![BU of 5ews by Molmil](/molmil-images/mine/5ews) | Sugar binding protein - human galectin-2 | 分子名称: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Su, J.Y, Si, Y.L. | 登録日 | 2015-11-21 | 公開日 | 2016-09-14 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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8SIW
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![BU of 8siw by Molmil](/molmil-images/mine/8siw) | Structure of Compound 5 bound to the CHK1 10-point mutant | 分子名称: | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide, Serine/threonine-protein kinase Chk1 | 著者 | Palte, R.L. | 登録日 | 2023-04-17 | 公開日 | 2023-11-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.877 Å) | 主引用文献 | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease. J.Med.Chem., 66, 2023
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8SIX
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![BU of 8six by Molmil](/molmil-images/mine/8six) | Structure of Compound 13 bound to the CHK1 10-point mutant | 分子名称: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide, Serine/threonine-protein kinase Chk1 | 著者 | Palte, R.L. | 登録日 | 2023-04-17 | 公開日 | 2023-11-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease. J.Med.Chem., 66, 2023
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