PDB: 31489 件ウェブページステータス検索Chemie searchBIRD

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6HGT	Crystal structure of human KDM4A complexed with co-substrate analog NOG and histone H3 peptide with K9R mutation 分子名称: Histone H3.3, Lysine-specific demethylase 4A, N-OXALYLGLYCINE, ... 著者 Maw, J, Le Bihan, Y.V, van Montfort, R.L.M. 登録日 2018-08-23 公開日 2019-09-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Structure-based design of selective, histone substrate-based inhibitors of histone lysine demethylases 4 (KDM4) subfamily To be published
6HHO	Crystal structure of RIP1 kinase in complex with GSK547 分子名称: 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 著者 Thorpe, J.H, Harris, P.A. 登録日 2018-08-28 公開日 2018-12-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.49 Å) 主引用文献 RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer. Cancer Cell, 34, 2018
6EE3	X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion 分子名称: (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, GLYCEROL, M1 family aminopeptidase, ... 著者 Drinkwater, N, McGowan, S. 登録日 2018-08-13 公開日 2018-12-26 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019
6HHY	Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine 分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, CALCIUM ION, ... 著者 Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. 登録日 2018-08-29 公開日 2019-12-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
6EED	X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion 分子名称: (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Drinkwater, N, McGowan, S. 登録日 2018-08-13 公開日 2018-12-26 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019
6H99	Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in persulfide form. 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Leisinger, F, Burn, R, Meury, M, Lukat, P, Seebeck, F.P. 登録日 2018-08-03 公開日 2019-06-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural and Mechanistic Basis for Anaerobic Ergothioneine Biosynthesis. J.Am.Chem.Soc., 141, 2019
8UF5	Catalytic domain of GtfB in complex with inhibitor G43 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... 著者 Schormann, N, Deivanayagam, C, Velu, S. 登録日 2023-10-03 公開日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence. Sci Rep, 7, 2017
8UCX	Dihydrofolate Reductase Complexed with Folate 分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION 著者 Fried, S.D.E, Boxer, S.G. 登録日 2023-09-27 公開日 2023-10-11 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase To Be Published
6HI9	PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol 分子名称: 3-[6-(oxan-4-yl)pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 著者 Convery, M.A, Summers, D, Peace, S. 登録日 2018-08-29 公開日 2019-09-11 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines. To be published
6HA9	Structure of an endo-Xyloglucanase from Cellvibrio japonicus complexed with XXXG(2F)-beta-DNP 分子名称: Cellulase, putative, cel5D, ... 著者 Offen, W.A, Davies, G.J. 登録日 2018-08-07 公開日 2018-10-03 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo-xyloglucanases. Org. Biomol. Chem., 16, 2018
6E29	Crystal structure of Myceliophteria_thermophila Cps50 (Swd1) beta-propeller domain 分子名称: SWD1-like protein 著者 Joshi, M, Yang, Y, Brunzelle, J.S, Couture, J.F. 登録日 2018-07-10 公開日 2018-07-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.818 Å) 主引用文献 Structure and Conformational Dynamics of a COMPASS Histone H3K4 Methyltransferase Complex. Cell, 174, 2018
8UC6	Calpain-7:IST1 Complex 分子名称: Calpain-7, IST1 homolog 著者 Paine, E, Whitby, F.G, Hill, C.P, Sunquist, W.I. 登録日 2023-09-25 公開日 2023-10-25 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.701 Å) 主引用文献 The Calpain-7 protease functions together with the ESCRT-III protein IST1 within the midbody to regulate the timing and completion of abscission. Elife, 12, 2023
8UM3	PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ... 著者 Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. 登録日 2023-10-17 公開日 2023-11-01 最終更新日 2024-08-14 実験手法 X-RAY DIFFRACTION (1.925 Å) 主引用文献 PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 To Be Published
6HB3	Structure of Hgh1, crystal form II 分子名称: Protein HGH1 著者 Moenkemeyer, L, Klaips, C.L, Balchin, D, Koerner, R, Hartl, F.U, Bracher, A. 登録日 2018-08-09 公開日 2019-02-27 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Chaperone Function of Hgh1 in the Biogenesis of Eukaryotic Elongation Factor 2. Mol.Cell, 74, 2019
8B69	Heterotetramer of K-Ras4B(G12V) and Rgl2(RBD) 分子名称: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Tariq, M, Fairall, L, Romartinez-Alonso, B, Dominguez, C, Schwabe, J.W.R, Tanaka, K. 登録日 2022-09-26 公開日 2023-08-23 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.07 Å) 主引用文献 Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator. Life Sci Alliance, 7, 2024
8U6B	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acrylamide (JLJ731), a non-nucleoside inhibitor 分子名称: N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT 著者 Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S. 登録日 2023-09-13 公開日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
8U6P	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ754), a non-nucleoside inhibitor 分子名称: 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide, MAGNESIUM ION, PHOSPHATE ION, ... 著者 Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. 登録日 2023-09-13 公開日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
6HN2	Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5 分子名称: 14-3-3 protein sigma, 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide, Estrogen Receptor, ... 著者 Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. 登録日 2018-09-13 公開日 2019-02-27 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc., 141, 2019
8U6Q	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)indolizine-2-carbonitrile (JLJ755), a non-nucleoside inhibitor 分子名称: (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. 登録日 2023-09-13 公開日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
8U6A	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (JLJ729), a non-nucleoside inhibitor 分子名称: N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT 著者 Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. 登録日 2023-09-13 公開日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
7OBF	Crystal structure of the human VH antibody domain HEL4 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HEL4, ... 著者 Belviso, B.D, Caliandro, R, Carrozzini, B. 登録日 2021-04-22 公開日 2021-05-05 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.699 Å) 主引用文献 Crystal structure of the human VH antibody domain HEL4 To Be Published
7OC9	Structure of Bdellovibrio bacteriovorus Bd0675 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Bd0675, GLYCEROL, ... 著者 Lovering, A.L, Valdivia-Delgado, M. 登録日 2021-04-26 公開日 2021-05-05 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Target highlights in CASP14: Analysis of models by structure providers. Proteins, 89, 2021
8U6O	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with5-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)-2-naphthonitrile (JLJ753), a non-nucleoside inhibitor 分子名称: 5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. 登録日 2023-09-13 公開日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
6HQ3	Structure of EAL Enzyme Bd1971 - halfsite-occupied form 分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, EAL Enzyme Bd1971 著者 Lovering, A.L, Cadby, I.T. 登録日 2018-09-24 公開日 2019-07-31 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase. Embo J., 38, 2019
8U6E	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)-N-methylacrylamide (JLJ738), a non-nucleoside inhibitor 分子名称: MAGNESIUM ION, N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, ... 著者 Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. 登録日 2023-09-13 公開日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023

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