4U93
| Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | 分子名称: | (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one, Heat shock protein HSP 90-alpha | 著者 | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | 登録日 | 2014-08-05 | 公開日 | 2014-11-19 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990. J.Med.Chem., 57, 2014
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4W7T
| Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | 分子名称: | (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one, Heat shock protein HSP 90-alpha | 著者 | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | 登録日 | 2014-08-22 | 公開日 | 2014-11-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990. J.Med.Chem., 57, 2014
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6LG3
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7YOX
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5KLI
| Rhodobacter sphaeroides bc1 with stigmatellin and antimycin | 分子名称: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE, Cytochrome b, ... | 著者 | Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A. | 登録日 | 2016-06-24 | 公開日 | 2016-10-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.996 Å) | 主引用文献 | Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III. J.Biol.Chem., 291, 2016
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5KKZ
| Rhodobacter sphaeroides bc1 with famoxadone | 分子名称: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, ASCORBIC ACID, Cytochrome b, ... | 著者 | Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A. | 登録日 | 2016-06-23 | 公開日 | 2016-10-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III. J.Biol.Chem., 291, 2016
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3FKY
| Crystal structure of the glutamine synthetase Gln1deltaN18 from the yeast Saccharomyces cerevisiae | 分子名称: | CITRATE ANION, Glutamine synthetase | 著者 | He, Y.X, Gui, L, Liu, Y.Z, Du, Y, Zhou, Y.Y, Li, P, Zhou, C.Z. | 登録日 | 2008-12-18 | 公開日 | 2009-10-06 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Crystal structure of Saccharomyces cerevisiae glutamine synthetase Gln1 suggests a nanotube-like supramolecular assembly Proteins, 76, 2009
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5NDF
| Small-molecule inhibition of ppGalNAc-Ts selectively reduces mucin-type O-glycosylation | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MANGANESE (II) ION, ... | 著者 | Hurtado-Guerrero, R, De las Rivas, M. | 登録日 | 2017-03-08 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The small molecule luteolin inhibits N-acetyl-alpha-galactosaminyltransferases and reduces mucin-type O-glycosylation of amyloid precursor protein. J. Biol. Chem., 292, 2017
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5NMI
| Cytochrome bc1 bound to the inhibitor MJM170 | 分子名称: | (4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ARG-ASN-TRP-VAL-PRO-THR-ALA-GLN-LEU-TRP-GLY-ALA-VAL-GLY-ALA-VAL-GLY-LEU-VAL-SER-ALA-THR, ... | 著者 | Capper, N.J, Antonyuk, S.V, Hasnain, S.S. | 登録日 | 2017-04-05 | 公開日 | 2017-06-14 | 最終更新日 | 2018-12-19 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | New paradigms for understanding and step changes in treating active and chronic, persistent apicomplexan infections. Sci Rep, 6, 2016
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7KDT
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7BZ2
| Cryo-EM structure of the formoterol-bound beta2 adrenergic receptor-Gs protein complex. | 分子名称: | Beta2 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Zhang, Y.N, Yang, F, Ling, S.L, Lv, P, Zhou, Y.X, Fang, W, Sun, W, Shi, P, Tian, C.L. | 登録日 | 2020-04-26 | 公開日 | 2020-08-05 | 実験手法 | ELECTRON MICROSCOPY (3.82 Å) | 主引用文献 | Single-particle cryo-EM structural studies of the beta2AR-Gs complex bound with a full agonist formoterol. Cell Discov, 6, 2020
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4RPV
| co-crystal structure of Pim1 with compound 3 | 分子名称: | (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1 | 著者 | Huang, X. | 登録日 | 2014-10-31 | 公開日 | 2015-02-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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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
| 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
| 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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8WPG
| Human calcium-sensing receptor bound with cinacalcet in detergent | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Ling, S.L, Meng, X.Y, Tian, C.L. | 登録日 | 2023-10-10 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex. Cell Res., 34, 2024
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8WPU
| Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Ling, S.L, Meng, X.Y, Tian, C.L. | 登録日 | 2023-10-10 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex. Cell Res., 34, 2024
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8YLB
| Cocrystal structures of agonists compound 1 with HsClpP | 分子名称: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | 著者 | Zhao, N, Zhu, Y, Bao, R. | 登録日 | 2024-03-06 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity. J.Med.Chem., 67, 2024
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8XN7
| Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f | 分子名称: | 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Huang, W.X, Liu, R, Ding, K. | 登録日 | 2023-12-29 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors. Eur.J.Med.Chem., 269, 2024
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5KZI
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6PM9
| Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719 | 分子名称: | (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | 著者 | Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J. | 登録日 | 2019-07-01 | 公開日 | 2019-09-18 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies. J.Med.Chem., 62, 2019
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6LP7
| Crystal structure of human DHODH in complex with inhibitor 0944 | 分子名称: | 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Chen, Q, Yu, Y. | 登録日 | 2020-01-09 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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5X5P
| Human serum transferrin bound to ruthenium NTA | 分子名称: | FE (III) ION, MALONATE ION, NITRILOTRIACETIC ACID, ... | 著者 | Sun, H, Wang, M. | 登録日 | 2017-02-17 | 公開日 | 2018-02-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake. J.Inorg.Biochem., 234, 2022
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6LP8
| Crystal structure of human DHODH in complex with inhibitor 1243 | 分子名称: | 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Chen, Q, Yu, Y. | 登録日 | 2020-01-09 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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