4PY1
| Crystal structure of Tyk2 in complex with compound 15, 6-((2,5-dimethoxyphenyl)thio)-3-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine | 分子名称: | 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Han, S, Knafels, J.D. | 登録日 | 2014-03-25 | 公開日 | 2014-09-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold. Bioorg.Med.Chem.Lett., 24, 2014
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7ARX
| Crystal structure of the catalytic fragment of masp-1 in complex with SFMI1 | 分子名称: | DI(HYDROXYETHYL)ETHER, Mannan-binding lectin serine protease 1, SFMI1 - Sunflower MASP1 inhibitor | 著者 | Durvanger, Z, Harmat, V, Dobo, J, Megyeri, M. | 登録日 | 2020-10-26 | 公開日 | 2021-11-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Directed Evolution-Driven Increase of Structural Plasticity Is a Prerequisite for Binding the Complement Lectin Pathway Blocking MASP-Inhibitor Peptides. Acs Chem.Biol., 17, 2022
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7PQO
| Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin | 分子名称: | Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ... | 著者 | Harmat, V, Fodor, K, Heja, D. | 登録日 | 2021-09-17 | 公開日 | 2022-05-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.39 Å) | 主引用文献 | Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation. J.Biol.Chem., 298, 2022
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7PQN
| Catalytic fragment of MASP-2 in complex with ecotin | 分子名称: | Ecotin, GLYCEROL, Mannan-binding lectin serine protease 2 A chain, ... | 著者 | Harmat, V, Fodor, K, Heja, D. | 登録日 | 2021-09-17 | 公開日 | 2022-05-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.400015 Å) | 主引用文献 | Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation. J.Biol.Chem., 298, 2022
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4U8Z
| Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | 分子名称: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | 著者 | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | 登録日 | 2014-08-05 | 公開日 | 2015-03-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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2BQ4
| Crystal structure of type I cytochrome c3 from Desulfovibrio africanus | 分子名称: | BASIC CYTOCHROME C3, CALCIUM ION, HEME C | 著者 | Czjzek, M, Pieulle, L, Morelli, X, Guerlesquin, F, Hatchikian, E.C. | 登録日 | 2005-04-27 | 公開日 | 2005-05-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | The Type I / Type II Cytochrome C(3) Complex: An Electron Transfer Link in the Hydrogen-Sulfate Reduction Pathway. J.Mol.Biol., 354, 2005
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7SZO
| Structure of a bacterial fimbrial tip containing FocH | 分子名称: | Chaperone protein FimC, FimF protein, FimG, ... | 著者 | Stenkamp, R.E, Le Trong, I, Aprikian, P, Sokurenko, E.V. | 登録日 | 2021-11-29 | 公開日 | 2021-12-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Recombinant FimH Adhesin Demonstrates How the Allosteric Catch Bond Mechanism Can Support Fast and Strong Bacterial Attachment in the Absence of Shear. J.Mol.Biol., 434, 2022
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4IGD
| Crystal structure of the zymogen catalytic region of Human MASP-1 | 分子名称: | GLYCEROL, Mannan-binding lectin serine protease 1 | 著者 | Harmat, V, Megyeri, M, Vegh, A, Dobo, J. | 登録日 | 2012-12-17 | 公開日 | 2013-02-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Quantitative characterization of the activation steps of mannan-binding lectin (MBL)-associated serine proteases (MASPs) points to the central role of MASP-1 in the initiation of the complement lectin pathway J.Biol.Chem., 288, 2013
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4KBA
| CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor | 分子名称: | 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION | 著者 | Liu, S. | 登録日 | 2013-04-23 | 公開日 | 2013-09-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Ligand-protein interactions of selective casein kinase 1 delta inhibitors. J.Med.Chem., 56, 2013
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4KBC
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4KB8
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8P82
| Cryo-EM structure of dimeric UBR5 | 分子名称: | E3 ubiquitin-protein ligase UBR5, ZINC ION | 著者 | Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H. | 登録日 | 2023-05-31 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | 主引用文献 | UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability. Mol.Cell, 83, 2023
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8P83
| Cryo-EM structure of full-length human UBR5 (homotetramer) | 分子名称: | E3 ubiquitin-protein ligase UBR5 | 著者 | Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H. | 登録日 | 2023-05-31 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | 主引用文献 | UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability. Mol.Cell, 83, 2023
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4WD4
| Crystal structure of human HO1 H25R | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K. | 登録日 | 2014-09-06 | 公開日 | 2015-09-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis Biochemistry, 55, 2016
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4LOS
| C1s CUB2-CCP1 | 分子名称: | CALCIUM ION, Complement C1s subcomponent heavy chain | 著者 | Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E, Gingras, A.R. | 登録日 | 2013-07-13 | 公開日 | 2013-08-07 | 最終更新日 | 2013-09-04 | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | 主引用文献 | Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LOT
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4LOR
| C1s CUB1-EGF-CUB2 in complex with a collagen-like peptide from C1q | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1s subcomponent heavy chain, ... | 著者 | Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E. | 登録日 | 2013-07-13 | 公開日 | 2013-08-07 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LMF
| C1s CUB1-EGF-CUB2 | 分子名称: | CALCIUM ION, Complement C1s subcomponent heavy chain, SODIUM ION | 著者 | Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E. | 登録日 | 2013-07-10 | 公開日 | 2013-08-07 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.921 Å) | 主引用文献 | Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4W8D
| Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589). | 分子名称: | 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Serine/threonine-protein kinase 24 36 kDa subunit | 著者 | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | 登録日 | 2014-08-24 | 公開日 | 2015-03-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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4W8E
| Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342) | 分子名称: | 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Serine/threonine-protein kinase 24 36 kDa subunit | 著者 | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | 登録日 | 2014-08-24 | 公開日 | 2015-03-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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5JPM
| Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF | 分子名称: | Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Croll, T.I, Andersen, G.R. | 登録日 | 2016-05-03 | 公開日 | 2016-08-10 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.75 Å) | 主引用文献 | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4. Acta Crystallogr D Struct Biol, 72, 2016
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2OFU
| x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | 分子名称: | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | 著者 | Huang, X. | 登録日 | 2007-01-04 | 公開日 | 2007-02-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity J.Med.Chem., 49, 2006
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5JPN
| Structure of human complement C4 rebuilt using iMDFF | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ... | 著者 | Croll, T.I, Andersen, G.R. | 登録日 | 2016-05-03 | 公開日 | 2016-08-10 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4. Acta Crystallogr D Struct Biol, 72, 2016
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2P2I
| Crystal structure of the VEGFR2 kinase domain in complex with a nicotinamide inhibitor | 分子名称: | N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2007-03-07 | 公開日 | 2007-03-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor J.Med.Chem., 50, 2007
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2P2H
| Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor | 分子名称: | 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2007-03-07 | 公開日 | 2007-03-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor J.Med.Chem., 50, 2007
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