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

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7OOG	Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823 分子名称: 4-bromanylpyridin-2-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... 著者 Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. 登録日 2021-05-27 公開日 2021-06-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823 To Be Published
7OOE	Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z321318226 分子名称: AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... 著者 Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. 登録日 2021-05-27 公開日 2021-06-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.369 Å) 主引用文献 Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
7OOH	Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 分子名称: 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... 著者 Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. 登録日 2021-05-27 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 To Be Published
7P31	Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 分子名称: 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... 著者 Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. 登録日 2021-07-06 公開日 2021-07-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with small molecule ligands To Be Published
7ORF	Crystal structure of JNK3 in complex with FMU-001-367 (compound 1) 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 10, ... 著者 Chaikuad, A, Koch, P, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-06-05 公開日 2021-07-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Controlling the Covalent Reactivity of a Kinase Inhibitor with Light. Angew.Chem.Int.Ed.Engl., 60, 2021
7OPG	Crystal structure of CLK1 in complex with compound 2 (CC513) 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol, Dual specificity protein kinase CLK1, ... 著者 Chaikuad, A, Routier, S, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-05-31 公開日 2021-07-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Crystal structure of CLK1 in complex with compound 2 (CC513) To Be Published
7ORE	Crystal structure of JNK3 in complex with light-activated covalent inhibitor MR-II-249 with both non-covalent and covalent binding modes (compound 4) 分子名称: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide, Mitogen-activated protein kinase 10 著者 Chaikuad, A, Reynders, M, Trauner, D, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-06-05 公開日 2021-07-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Controlling the Covalent Reactivity of a Kinase Inhibitor with Light. Angew.Chem.Int.Ed.Engl., 60, 2021
7OOX	Crystal structure of PIM1 in complex with ARC-3126 分子名称: 1,2-ETHANEDIOL, Inhibitor ARC-3126, PHOSPHATE ION, ... 著者 Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-05-28 公開日 2021-08-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family. Molecules, 26, 2021
7OOV	Crystal structure of PIM1 in complex with ARC-1411 分子名称: 1,2-ETHANEDIOL, Inhibitor ARC-1411, SULFATE ION, ... 著者 Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-05-28 公開日 2021-08-04 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family. Molecules, 26, 2021
7OOW	Crystal structure of PIM1 in complex with ARC-1415 分子名称: 1,2-ETHANEDIOL, INHIBITOR ARC-1415, MAGNESIUM ION, ... 著者 Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2021-05-28 公開日 2021-08-04 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family. Molecules, 26, 2021
7OW9	Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine 分子名称: (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione, CYPX, NITRATE ION, ... 著者 Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. 登録日 2021-06-17 公開日 2021-08-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine To Be Published
7OR6	The crystal structure of the domain-swapped dimer of onconase 分子名称: Protein P-30 著者 Merlino, A, Loreto, D. 登録日 2021-06-04 公開日 2021-10-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 The crystal structure of the domain-swapped dimer of onconase highlights some catalytic and antitumor activity features of the enzyme. Int.J.Biol.Macromol., 191, 2021
7ORD	The crystal structure of the domain-swapped dimer of onconase (2) 分子名称: ACETATE ION, Protein P-30, SULFATE ION 著者 Merlino, A, Loreto, D. 登録日 2021-06-05 公開日 2021-10-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 The crystal structure of the domain-swapped dimer of onconase highlights some catalytic and antitumor activity features of the enzyme. Int.J.Biol.Macromol., 191, 2021
7P53	Crystal Structure of Human gamma-D-crystallin mutant C110M at 1.57 Angstroms resolution 分子名称: Gamma-crystallin D 著者 Strofaldi, A, Khan, A.R, McManus, J. 登録日 2021-07-14 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Surface Exposed Free Cysteine Suppresses Crystallization of Human gamma D-Crystallin. J.Mol.Biol., 433, 2021
7P8C	Crystal structure of the Receiver domain of A. thaliana cytokinin receptor AtCRE1 in complex with K+ 分子名称: POTASSIUM ION, Receiver domain of histidine kinase 4 著者 Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. 登録日 2021-07-21 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula . Front Plant Sci, 12, 2021
7P8D	Crystal structure of the Receiver domain of A. thaliana cytokinin receptor AtCRE1 in complex with Mg2+ 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, MAGNESIUM ION, ... 著者 Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. 登録日 2021-07-21 公開日 2021-10-20 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula . Front Plant Sci, 12, 2021
7OOL	Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Gavira, J.A, Ibarra-Molero, B, Gamiz-Arco, G, Risso, V, Sanchez-Ruiz, J.M. 登録日 2021-05-28 公開日 2021-11-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Combining Ancestral Reconstruction with Folding-Landscape Simulations to Engineer Heterologous Protein Expression. J.Mol.Biol., 433, 2021
7OUB	High resolution structure of Alpha-1-acid glycoprotein bound to potent anti-tumour compound UCN-01 分子名称: 7-HYDROXYSTAUROSPORINE, Alpha-1-acid glycoprotein 2 著者 Landin, E.J.B, Williams, C, Crump, M.P. 登録日 2021-06-11 公開日 2021-12-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 The structural basis for high affinity binding of alpha 1-acid glycoprotein to the potent antitumor compound UCN-01. J.Biol.Chem., 297, 2021
7P8R	X-ray structure of the adduct of a vanadium picolinate complex with RNase A at pH 5.1 分子名称: Ribonuclease pancreatic, SULFATE ION, hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~N,O)vanadium(3+) 著者 Ferraro, G, Merlino, A. 登録日 2021-07-23 公開日 2021-12-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Spectroscopic/Computational Characterization and the X-ray Structure of the Adduct of the V IV O-Picolinato Complex with RNase A. Inorg.Chem., 60, 2021
7P6M	Hydrogenated refolded hen egg-white lysozyme 分子名称: ACETATE ION, Lysozyme C, NITRATE ION 著者 Ramos, J, Laux, V, Haertlein, M, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. 登録日 2021-07-16 公開日 2021-12-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.89 Å) 主引用文献 The impact of folding modes and deuteration on the atomic resolution structure of hen egg-white lysozyme. Acta Crystallogr D Struct Biol, 77, 2021
7P6L	Heme domain of CYP505A30, a fungal hydroxylase from Myceliophthora thermophila, bound to dodecanoic acid 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, LAURIC ACID, PROTOPORPHYRIN IX CONTAINING FE 著者 Opperman, D.J, Aschenbrenner, J.C, Tolmie, C, Ebrecht, A.C. 登録日 2021-07-16 公開日 2022-02-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Structure of the fungal hydroxylase, CYP505A30, and rational transfer of mutation data from CYP102A1 to alter regioselectivity Catalysis Science And Technology, 11, 2021
7OPM	Phosphorylated ERK2 in complex with ORF45 分子名称: 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea, GLYCEROL, Mitogen-activated protein kinase 1, ... 著者 Sok, P, Remenyi, A, Alexa, A, Poti, A. 登録日 2021-06-01 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host. Nat Commun, 13, 2022
7OPO	RSK2 N-terminal kinase domain in complex with ORF45 分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein ORF45, Ribosomal protein S6 kinase alpha-3 著者 Sok, P, Remenyi, A, Alexa, A, Poti, A. 登録日 2021-06-01 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host. Nat Commun, 13, 2022
7OY6	Crystal structure of human DYRK1A in complex with ARN25068 分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine 著者 Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. 登録日 2021-06-23 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders. Eur.J.Med.Chem., 229, 2022
7OY5	Crystal structure of GSK3Beta in complex with ARN25068 分子名称: CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine 著者 Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A. 登録日 2021-06-23 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders. Eur.J.Med.Chem., 229, 2022

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