PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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5JIX	PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP 分子名称: 1,2-ETHANEDIOL, 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... 著者 Campbell, J.C, Kim, C.W. 登録日 2016-04-22 公開日 2017-05-03 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017
7NUL	Rhinovirus-14 ICAM-1 activated particle at pH 6.2 分子名称: Genome polyprotein, P1 著者 Hrebik, D, Plevka, P. 登録日 2021-03-12 公開日 2021-05-19 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating. Proc.Natl.Acad.Sci.USA, 118, 2021
7OAK	Crystal structure of pseudokinase CASK in complex with compound 26 分子名称: 1,2-ETHANEDIOL, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK 著者 Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-04-19 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. J.Med.Chem., 64, 2021
7UJR	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B 分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... 著者 Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. 登録日 2022-03-31 公開日 2022-04-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
6BP0	Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor 分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J, Structural Genomics Consortium (SGC) 登録日 2017-11-21 公開日 2017-12-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor To Be Published
7UJQ	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B 分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor ionotropic, ... 著者 Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. 登録日 2022-03-31 公開日 2022-04-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
7OAL	Crystal structure of pseudokinase CASK in complex with compound 25 分子名称: 1,2-ETHANEDIOL, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK 著者 Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-04-19 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. J.Med.Chem., 64, 2021
7UJP	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... 著者 Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. 登録日 2022-03-31 公開日 2022-04-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
8C14	Aurora A kinase in complex with TPX2-inhibitor 9 分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... 著者 Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. 登録日 2022-12-20 公開日 2024-01-10 最終更新日 2024-09-04 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents. J.Med.Chem., 2024
6BHC	Crystal structure of pseduokinase PEAK1 (Sugen Kinase 269) 分子名称: Pseudopodium-enriched atypical kinase 1 著者 Ha, B.H, Boggon, T.J. 登録日 2017-10-30 公開日 2017-12-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The crystal structure of pseudokinase PEAK1 (Sugen kinase 269) reveals an unusual catalytic cleft and a novel mode of kinase fold dimerization. J. Biol. Chem., 293, 2018
8C1D	Aurora A kinase in complex with TPX2-inhibitor 9 分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... 著者 Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. 登録日 2022-12-20 公開日 2024-01-10 最終更新日 2024-09-04 実験手法 X-RAY DIFFRACTION (2.115 Å) 主引用文献 Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents. J.Med.Chem., 2024
8BYX	HOXB13-homodimer bound to DNA 分子名称: DNA, Homeobox protein Hox-B13 著者 Morgunova, E, Popov, A, Yin, Y, Taipale, J. 登録日 2022-12-14 公開日 2023-12-27 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 HOXB13-homodimer bound to DNA To Be Published
8C1H	Aurora A kinase in complex with TPX2-inhibitor 8 分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... 著者 Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. 登録日 2022-12-20 公開日 2024-01-10 最終更新日 2024-09-04 実験手法 X-RAY DIFFRACTION (2.233 Å) 主引用文献 Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents. J.Med.Chem., 2024
8C3G	Crystal structure of DYRK1A in complex with AZ191 分子名称: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine, ... 著者 Grygier, P, Pustelny, K, Dubin, G, Czarna, A. 登録日 2022-12-23 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structural perspective on the design of selective DYRK1B inhibitors To Be Published
8JJS	Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... 著者 Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. 登録日 2023-05-31 公開日 2023-07-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.534 Å) 主引用文献 Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor. J.Am.Chem.Soc., 145, 2023
6BRC	Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) 分子名称: 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine, Calcium/calmodulin-dependent protein kinase kinase 2, SODIUM ION 著者 Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) 登録日 2017-11-30 公開日 2017-12-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) To Be Published
5L94	The 2.25 A crystal structure of CYP109E1 from Bacillus megaterium in complex with testosterone 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2016-06-09 公開日 2016-10-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium. Febs J., 283, 2016
6BRU	Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor 分子名称: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, SULFATE ION, ... 著者 Counago, R.M, dos Reis, C.V, de Souza, G.P, Aquino, B, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) 登録日 2017-12-01 公開日 2017-12-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor To Be Published
6BKU	Crystal Structure of the Human CAMKK2B bound to GSK650394 分子名称: 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, FORMIC ACID 著者 Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) 登録日 2017-11-09 公開日 2017-11-29 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of the Human CAMKK2B bound to GSK650394 To Be Published
5KQX	Protease E35D-SQV 分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV 著者 Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. 登録日 2016-07-06 公開日 2016-09-21 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
5LAG	Room temperature X-ray diffraction of tetragonal HEWL with 1M of uridine. Second data set (0.62 MGy) 分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C 著者 Castellvi, A, Juanhuix, J. 登録日 2016-06-14 公開日 2016-12-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Uridine as a new scavenger for synchrotron-based structural biology techniques. J Synchrotron Radiat, 24, 2017
5L17	The crystal structure of neuraminidase in complex with zanamivir from A/Shanghai/2/2013 (H7N9) influenza virus 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... 著者 Yang, H, Stevens, J. 登録日 2016-07-28 公開日 2017-08-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins. J. Infect. Dis., 216, 2017
5L1W	X-ray Structure of 2-Mercaptoethanol modified M81C mutant of Cytochrome P450 PntM with pentalenolactone F 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F 著者 Duan, L, Jogl, G, Cane, D.E. 登録日 2016-07-29 公開日 2016-09-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
6LNM	Crystal structure of CASK-CaMK in complex with Mint1-CID 分子名称: Amyloid-beta A4 precursor protein-binding family A member 1, Peripheral plasma membrane protein CASK 著者 Cai, Q, Zhang, M. 登録日 2019-12-31 公開日 2020-04-08 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural Basis for the High-Affinity Interaction between CASK and Mint1. Structure, 28, 2020
7UXG	Crystal structure of putative serine protease YdgD from Escherichia coli 分子名称: Serine protease 著者 Stogios, P.J, Michalska, K, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2022-05-05 公開日 2022-05-18 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Crystal structure of putative serine protease YdgD from Escherichia coli To Be Published

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