4RLO
 
 | | Human p70s6k1 with ruthenium-based inhibitor EM5 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | | 登録日 | 2014-10-17 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.527 Å) | | 主引用文献 | Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
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9EW3
 | | Ternary structure of 14-3-3s, C-RAF phosphopeptide 12-mer (pS259) and compound 78 (1084378) | | 分子名称: | 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone, 14-3-3 protein sigma, CALCIUM ION, ... | | 著者 | Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R. | | 登録日 | 2024-04-03 | | 公開日 | 2025-04-16 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
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8TFA
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with myo-5-PP-IP4, produced upon myo-(2OH)-IP5 phosphorylation by TvIPK | | 分子名称: | (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | | 著者 | Zong, G, Wang, H, Shears, S.B. | | 登録日 | 2023-07-09 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
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9BT8
 | | Structure of Src in complex with beta-arrestin 1 revealing SH3 binding sites | | 分子名称: | Antibody fragment Fab30, heavy chain, light chain, ... | | 著者 | Pakharukova, N, Bansia, H, Bassford, D.K, des Georges, A, Lefkowitz, R.J. | | 登録日 | 2024-05-14 | | 公開日 | 2024-11-13 | | 最終更新日 | 2024-11-27 | | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | | 主引用文献 | Beta-arrestin 1 mediated Src activation via Src SH3 domain revealed by cryo-electron microscopy.
Biorxiv, 2024
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8JBO
 | | Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine | | 分子名称: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ... | | 著者 | Pengthaisong, S, Ketudat Cairns, J.R. | | 登録日 | 2023-05-09 | | 公開日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for inhibition of a GH116 beta-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study.
Chem.Biol.Interact., 384, 2023
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5EIC
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6UX9
 | | Crystal Structure Analysis of PIP4K2A | | 分子名称: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | 著者 | Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2019-11-07 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors.
J.Med.Chem., 63, 2020
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4RQL
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8JI8
 | | Crystal Structure of Prophenoloxidase PPO6 chimeric mutant (F215EASNRAIVD224 to G215DGPDSVVR223) from Aedes aegypti | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, ... | | 著者 | Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q. | | 登録日 | 2023-05-26 | | 公開日 | 2023-11-01 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | The Aedes aegypti mosquito evolves two types of prophenoloxidases with diversified functions.
Proc.Natl.Acad.Sci.USA, 122, 2025
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5OGJ
 | | Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ... | | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | | 登録日 | 2017-07-13 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To be published
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1EQ7
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6XSJ
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6XUE
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1ESJ
 | | CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) | | 分子名称: | HYDROXYETHYLTHIAZOLE KINASE, SULFATE ION | | 著者 | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | | 登録日 | 2000-04-10 | | 公開日 | 2000-08-09 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
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8UDV
 | | The X-RAY co-crystal structure of human FGFR3 V555M and Compound 17 | | 分子名称: | 1,2-ETHANEDIOL, 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, Fibroblast growth factor receptor 3, ... | | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | 登録日 | 2023-09-29 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.348 Å) | | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
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8JIB
 | | Crystal Structure of Prophenoloxidase PPO6 from Aedes aegypti | | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, TK receptor | | 著者 | Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q. | | 登録日 | 2023-05-26 | | 公開日 | 2023-11-29 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | The Aedes aegypti mosquito evolves two types of prophenoloxidases with diversified functions.
Proc.Natl.Acad.Sci.USA, 122, 2025
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8X4N
 | | Crystal structure of the PI3P-binding domain of Legionella SetA in complex with inositol 1,3-bisphosphate | | 分子名称: | GLYCEROL, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, Subversion of eukaryotic traffic protein A | | 著者 | Im, H.N, Lee, Y, Jang, D.M, Hahn, H, Kim, H.S. | | 登録日 | 2023-11-15 | | 公開日 | 2025-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Crystal structure of the PI3P-binding domain of Legionella SetA in complex with inositol 1,3-bisphosphate
To Be Published
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6C2R
 | | Aurora A ligand complex | | 分子名称: | (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION | | 著者 | Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. | | 登録日 | 2018-01-08 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
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4RT7
 | | Crystal Structure of FLT3 with a small molecule inhibitor | | 分子名称: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 | | 著者 | Zhang, Y, Zhang, C. | | 登録日 | 2014-11-13 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Characterizing and Overriding the Structural Mechanism of the Quizartinib-Resistant FLT3 "Gatekeeper" F691L Mutation with PLX3397.
Cancer Discov, 5, 2015
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8BXR
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7CL0
 | | Crystal structure of human SIRT6 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | | 著者 | Song, K, Zhang, J. | | 登録日 | 2020-07-20 | | 公開日 | 2021-02-24 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
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6FAB
 | | THREE-DIMENSIONAL STRUCTURE OF MURINE ANTI-P-AZOPHENYLARSONATE FAB 36-71. 1. X-RAY CRYSTALLOGRAPHY, SITE-DIRECTED MUTAGENESIS, AND MODELING OF THE COMPLEX WITH HAPTEN | | 分子名称: | IGG1-KAPPA 36-71 FAB (HEAVY CHAIN), IGG1-KAPPA 36-71 FAB (LIGHT CHAIN) | | 著者 | Strong, R.K, Rose, D.R, Petsko, G.A, Sharon, J, Margolies, M.N. | | 登録日 | 1991-01-17 | | 公開日 | 1993-01-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Three-dimensional structure of murine anti-p-azophenylarsonate Fab 36-71. 1. X-ray crystallography, site-directed mutagenesis, and modeling of the complex with hapten.
Biochemistry, 30, 1991
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7MIE
 | | Crystal structure of the Borreliella burgdorferi PlzA protein in complex with c-di-GMP | | 分子名称: | 1,2-ETHANEDIOL, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CHLORIDE ION, ... | | 著者 | Davies, C, Singh, A. | | 登録日 | 2021-04-16 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High-resolution crystal structure of the Borreliella burgdorferi PlzA protein in complex with c-di-GMP: new insights into the interaction of c-di-GMP with the novel xPilZ domain.
Pathog Dis, 79, 2021
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5OKP
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4XHQ
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