PDB: 30476 件ウェブページステータス検索Chemie searchBIRD

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8VXD	Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 7 分子名称: (4P)-4-[(3P)-3-(5-fluoropyridin-2-yl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Casein kinase I isoform delta 著者 Thompson, A.A, Milligan, C.M, Sharma, S. 登録日 2024-02-04 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
9F9L	Crystal structure of MUS81-EME1 bound by compound 16. 分子名称: 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
8W3X	Crystal structure of IRAK4 in complex with compound 6 分子名称: 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 著者 Han, S, Knafels, J.D. 登録日 2024-02-22 公開日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.765 Å) 主引用文献 In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833). Acs Med.Chem.Lett., 15, 2024
8TVN	IRAK4 in complex with compound 23 分子名称: Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide 著者 Metrick, C.M, Chodaparambil, J.V. 登録日 2023-08-18 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors. Acs Med.Chem.Lett., 15, 2024
8TVM	IRAK4 in complex with compound 24 分子名称: Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide 著者 Metrick, C.M, Chodaparambil, J.V. 登録日 2023-08-18 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors. Acs Med.Chem.Lett., 15, 2024
8VXF	Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 分子名称: (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta 著者 Thompson, A.A, Milligan, C.M, Sharma, S. 登録日 2024-02-04 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
9F9K	Crystal structure of MUS81-EME1 bound by compound 15. 分子名称: 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.728 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
8W1L	Structure of CSF1R kinase domain in complex with Cpd 32 分子名称: GLYCEROL, Macrophage colony-stimulating factor 1 receptor,CSF1R, SULFATE ION, ... 著者 Kothe, M, Chodaparambil, J. 登録日 2024-02-16 公開日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Identification of Selective Imidazopyridine CSF1R Inhibitors. Acs Med.Chem.Lett., 15, 2024
8VEV	Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification, m6A nucleoside ligand 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-methyladenosine, ... 著者 Aoki, S.T. 登録日 2023-12-20 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (3.06 Å) 主引用文献 Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification, m6A nucleoside ligand To Be Published
6XDF	Crystal structure of IRE1a in complex with G-4100 分子名称: 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 著者 Steinbacher, S, Wang, W. 登録日 2020-06-10 公開日 2021-04-21 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.54 Å) 主引用文献 Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
9F9M	Crystal structure of MUS81-EME1 bound by compound 21. 分子名称: 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-08 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.469 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
6I83	Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366 分子名称: 4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret 著者 Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M. 登録日 2018-11-19 公開日 2020-03-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase. Acs Med.Chem.Lett., 11, 2020
6I8T	THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH AN ISOINDOLINONE INHIBITOR 分子名称: (1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1 著者 Casale, E, Papeo, G, Montagnoli, A. 登録日 2018-11-21 公開日 2019-05-01 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515. Acs Med.Chem.Lett., 10, 2019
6YD2	X-ray structure of furin in complex with the canavanine-based inhibitor 4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba 分子名称: 4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba, CALCIUM ION, CHLORIDE ION, ... 著者 Dahms, S.O. 登録日 2020-03-20 公開日 2021-02-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin. Acs Med.Chem.Lett., 12, 2021
6IZN	Crystal structure of the PPARgamma-LBD complexed with compound 3g 分子名称: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma 著者 Matsui, Y, Hanzawa, H. 登録日 2018-12-20 公開日 2019-03-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930. Acs Med.Chem.Lett., 10, 2019
1BW0	CRYSTAL STRUCTURE OF TYROSINE AMINOTRANSFERASE FROM TRYPANOSOMA CRUZI 分子名称: PROTEIN (TYROSINE AMINOTRANSFERASE) 著者 Blankenfeldt, W, Montemartini, M, Hunter, G.R, Kalisz, H.M, Nowicki, C, Hecht, H.J. 登録日 1998-09-28 公開日 1999-09-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of Trypanosoma cruzi tyrosine aminotransferase: substrate specificity is influenced by cofactor binding mode. Protein Sci., 8, 1999
6J67	Crystal structure of the compound 34 in a complex with TRF2 分子名称: 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2 著者 Chen, Y, Yang, Y, Lei, M. 登録日 2019-01-14 公開日 2019-02-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction. ACS Med Chem Lett, 9, 2018
6YDX	Insulin-regulated aminopeptidase complexed with a macrocyclic peptidic inhibitor 分子名称: 1,2-ETHANEDIOL, 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Mpakali, A, Saridakis, E, Giastas, P, Stratikos, E. 登録日 2020-03-21 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural Basis of Inhibition of Insulin-Regulated Aminopeptidase by a Macrocyclic Peptidic Inhibitor. Acs Med.Chem.Lett., 11, 2020
1BUE	NMC-A CARBAPENEMASE FROM ENTEROBACTER CLOACAE 分子名称: PROTEIN (IMIPENEM-HYDROLYSING BETA-LACTAMASE) 著者 Swaren, P, Maveyraud, L, Cabantous, S, Pedelacq, J.D, Mourey, L, Frere, J.M, Samama, J.P. 登録日 1998-09-03 公開日 1999-09-02 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 X-ray analysis of the NMC-A beta-lactamase at 1.64-A resolution, a class A carbapenemase with broad substrate specificity. J.Biol.Chem., 273, 1998
6JMF	Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 4 分子名称: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide, SULFATE ION, Tyrosine-protein kinase Fes/Fps 著者 Baba, D, Hanzawa, H. 登録日 2019-03-08 公開日 2019-06-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity. Acs Med.Chem.Lett., 10, 2019
8TGT	Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with the hypervariable region of group A Streptococcus M68 protein 分子名称: 1,2-ETHANEDIOL, C4b-binding protein alpha chain, CALCIUM ION, ... 著者 Kolesinski, P, Ghosh, P. 登録日 2023-07-13 公開日 2024-07-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with the hypervariable region of group A Streptococcus M68 protein To Be Published
8TRV	Structure of the EphA2 LBDCRD bound to FabS1C_C1 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... 著者 Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. 登録日 2023-08-10 公開日 2024-07-17 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To be Published
8V3P	CCP5 in complex with Glu-P-peptide 2 transition state analog 分子名称: Cytosolic carboxypeptidase-like protein 5, Tubulin beta-2A chain, ZINC ION 著者 Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. 登録日 2023-11-28 公開日 2024-07-17 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Tubulin code eraser CCP5 binds branch glutamates by substrate deformation Nature, 2024
8W4E	Crystal structure of the sigma-1 receptor from Xenopus laevis in the absence of known ligands (C2 form) 分子名称: Sigma non-opioid intracellular receptor 1 著者 Xiao, Y, Fu, C, Sun, Z, Zhou, X. 登録日 2023-08-23 公開日 2024-07-17 実験手法 X-RAY DIFFRACTION (2.805 Å) 主引用文献 Insight into binding of endogenous neurosteroid ligands to the sigma-1 receptor. Nat Commun, 15, 2024
9FEA	Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NAD+ 分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... 著者 Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. 登録日 2024-05-17 公開日 2024-07-17 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024

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