8OT5
| Crystal structure of the titin domain Fn3-85 | 分子名称: | CHLORIDE ION, SODIUM ION, Titin | 著者 | Nikoopour, R, Rees, M, Gautel, M. | 登録日 | 2023-04-20 | 公開日 | 2023-08-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation. J.Struct.Biol., 215, 2023
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8OIY
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7M6C
| Crystal structure of PLA2 from snake venom of peruvian Bothrops atrox | 分子名称: | Basic phospholipase A2, LAURIC ACID | 著者 | Leonardo, D.A, Chojnowski, G, Simpkin, A, Seifert-Davila, W, Vivas-Ruiz, D.E, Keegan, R, Rigden, D. | 登録日 | 2021-03-25 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM Iucrj, 9, 2022
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5ZJ3
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7MRO
| Zebrafish CNTN4 FN1-FN3 domains | 分子名称: | Contactin-4 | 著者 | Bouyain, S, Karuppan, S.J. | 登録日 | 2021-05-07 | 公開日 | 2022-01-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface. J.Biol.Chem., 298, 2021
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6MCU
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7MFZ
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5LA5
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5LAR
| Crystal structure of p38 alpha MAPK14 in complex with VPC00628 | 分子名称: | 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | 著者 | Chaikuad, A, Petersen, L.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-14 | 公開日 | 2016-07-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Novel p38alpha MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library Medchemcomm, 7, 2016
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8D6E
| Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306 | 分子名称: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | 著者 | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | 登録日 | 2022-06-06 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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7MFX
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7MFY
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8D6D
| Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39 | 分子名称: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | 著者 | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | 登録日 | 2022-06-06 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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8D6F
| Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41 | 分子名称: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION | 著者 | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | 登録日 | 2022-06-06 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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5KKS
| ROCK 1 bound to azaindole thiazole inhibitor | 分子名称: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | 著者 | Jacobs, M.D. | 登録日 | 2016-06-22 | 公開日 | 2017-06-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors Bioorg.Med.Chem.Lett., 2018
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5KL7
| Wilms Tumor Protein (WT1) ZnF2-4Q369R in complex with carboxylated DNA | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | 著者 | Hashimoto, H, Cheng, X. | 登録日 | 2016-06-23 | 公開日 | 2016-09-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | 主引用文献 | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications. Nucleic Acids Res., 44, 2016
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7MP3
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5KKE
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7VEI
| Neutron structure of D2O-solvent lysozyme | 分子名称: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | 著者 | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | 登録日 | 2021-09-08 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | NEUTRON DIFFRACTION (2 Å) | 主引用文献 | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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5KKK
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8D6C
| Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28 | 分子名称: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | 著者 | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | 登録日 | 2022-06-06 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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5Z1C
| The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 | 分子名称: | 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator | 著者 | Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D. | 登録日 | 2017-12-25 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 49, 2018
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5KOT
| Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | 分子名称: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | 登録日 | 2016-07-01 | 公開日 | 2017-07-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor To be published
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7MRI
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7MU7
| Ask1 bound to compound 3 | 分子名称: | 1,2-ETHANEDIOL, 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, ... | 著者 | Chodaparambil, J.V, Marcotte, D.J. | 登録日 | 2021-05-14 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.298 Å) | 主引用文献 | Discovery of Potent, Selective and CNS-Penetrant Apoptosis Signal-regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation in Vivo To Be Published
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