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

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7Q0V	Lysozyme soaked with V(IV)OSO4 and phen 分子名称: 1,10-PHENANTHROLINE, ACETATE ION, CHLORIDE ION, ... 著者 Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. 登録日 2021-10-16 公開日 2022-05-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
7Q0W	Bovine Trypsin co-crystallized with V(IV)OSO4 and phen 分子名称: 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ... 著者 Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. 登録日 2021-10-16 公開日 2022-05-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
7Q0T	Lysozyme soaked with V(IV)OSO4 分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ... 著者 Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. 登録日 2021-10-16 公開日 2022-05-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
6X5Q	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluA1 分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor 1 著者 Ozden, C, Stratton, M.M, Garman, S.C. 登録日 2020-05-26 公開日 2020-12-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
5WP2	1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN 分子名称: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ... 著者 Fielding, A, Dornevil, K, Liu, A. 登録日 2017-08-03 公開日 2018-05-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.439 Å) 主引用文献 Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature. J. Am. Chem. Soc., 139, 2017
5WB1	Ligand-free US28 with stabilizing intracellular nanobody 分子名称: Envelope protein US28, nanobody 7 fusion protein 著者 Jude, K.M, Burg, J.S, Garcia, K.C. 登録日 2017-06-27 公開日 2018-06-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.508 Å) 主引用文献 Viral GPCR US28 can signal in response to chemokine agonists of nearly unlimited structural degeneracy. Elife, 7, 2018
6WPL	Structure of Cytochrome P450tcu 分子名称: 5-EXO-HYDROXYCAMPHOR, Cytochrome P-450cam, subunit of camphor 5-monooxygenase system, ... 著者 Murarka, V.C, Batabyal, D, Amaya, J.A, Sevrioukova, I.F, Poulos, T.L. 登録日 2020-04-27 公開日 2020-07-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.097 Å) 主引用文献 Unexpected Differences between Two Closely Related Bacterial P450 Camphor Monooxygenases. Biochemistry, 59, 2020
6NX5	Crystal structure of the RRM domain of S. pombe Puf1 in the P21 space group 分子名称: 1,2-ETHANEDIOL, Pumilio domain-containing protein C56F2.08c 著者 Qiu, C, Hall, T.M.T. 登録日 2019-02-08 公開日 2019-07-03 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.554 Å) 主引用文献 Distinct RNA-binding modules in a single PUF protein cooperate to determine RNA specificity. Nucleic Acids Res., 47, 2019
5WB6	FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate 分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... 著者 Sheriff, S. 登録日 2017-06-28 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Macrocyclic factor XIa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
5WVD	Structure of Mnk1 in complex with DS12881479 分子名称: 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide, MAP kinase interacting serine/threonine kinase 1, SULFATE ION 著者 Matsui, Y, Hanzawa, H. 登録日 2016-12-24 公開日 2018-01-03 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 A novel inhibitor stabilizes the inactive conformation of MAPK-interacting kinase 1. Acta Crystallogr F Struct Biol Commun, 74, 2018
5WBG	Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz 分子名称: (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... 著者 Shah, M.B, Halpert, J.R. 登録日 2017-06-29 公開日 2018-05-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog. Int J Mol Sci, 19, 2018
5WE8	Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8) 分子名称: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Xie, X, Kohls, D. 登録日 2017-07-07 公開日 2017-08-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.006 Å) 主引用文献 Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models. J. Med. Chem., 60, 2017
5WDS	Choanoflagellate Salpingoeca rosetta Ras with GDP bound 分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Kondo, Y, Gee, C.L, Kuriyan, J. 登録日 2017-07-05 公開日 2017-07-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
6WP0	The Crystal Structure of Domain-Swapped Trimer Q108K:T51D variant of HCRBPII 分子名称: ACETATE ION, GLYCEROL, Retinol-binding protein 2 著者 Ghanbarpour, A, Geiger, J. 登録日 2020-04-26 公開日 2020-08-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering. Chembiochem, 21, 2020
5WJJ	Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors 分子名称: Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide 著者 Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. 登録日 2017-07-23 公開日 2018-01-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
6WMI	ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ... 著者 Ren, R, Horton, J.R, Cheng, X. 登録日 2020-04-21 公開日 2020-12-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression. Mol.Cell, 81, 2021
6WRL	The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 week 分子名称: ACETATE ION, Lysozyme, Rhodium, ... 著者 Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C. 登録日 2020-04-29 公開日 2020-12-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level. Inorg.Chem., 59, 2020
5WNE	X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR 分子名称: 3,4-dimethoxy-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide, GLYCEROL, Rho-associated protein kinase 1 著者 Li, X. 登録日 2017-07-31 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Novel mechanism of Rho kinase selectivity: beyond the ATP pocket To Be Published
5WQ0	Receiver domain of Spo0A from Paenisporosarcina sp. TG-14 分子名称: MAGNESIUM ION, Stage 0 sporulation protein 著者 Lee, J.H, Lee, C.W. 登録日 2016-11-22 公開日 2017-03-22 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.604 Å) 主引用文献 Crystal structure of the inactive state of the receiver domain of Spo0A from Paenisporosarcina sp. TG-14, a psychrophilic bacterium isolated from an Antarctic glacier J. Microbiol., 55, 2017
6X1G	Crystal structure of a GEF domain from the Orientia tsutsugamushi protein OtDUB in complex with Rac1 分子名称: MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1, ULP_PROTEASE domain-containing protein 著者 Lim, C.S, Xiong, Y. 登録日 2020-05-18 公開日 2020-11-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of a guanine nucleotide exchange factor encoded by the scrub typhus pathogen Orientia tsutsugamushi . Proc.Natl.Acad.Sci.USA, 117, 2020
5WNG	X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR 分子名称: (2R)-N-(3-cyanophenyl)-2-(3-{[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide, Rho-associated protein kinase 1 著者 Li, X. 登録日 2017-07-31 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Novel mechanism of Rho kinase selectivity: beyond the ATP pocket To Be Published
6WZM	LY3041658 Fab bound to CXCL8 分子名称: 1,2-ETHANEDIOL, Interleukin-8, LY3041658 Fab heavy chain, ... 著者 Durbin, J.D, Druzina, Z. 登録日 2020-05-14 公開日 2020-11-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody. Mabs, 12
6WP2	The Crystal Structure of Apo Zinc-Bound Domain Swapped-Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F:F57H Variant of HCRBPII 分子名称: ACETATE ION, GLYCEROL, Retinol-binding protein 2, ... 著者 Ghanbarpour, A, Geiger, J. 登録日 2020-04-26 公開日 2020-08-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering. Chembiochem, 21, 2020
5WWF	Crystal structure of hnRNPA2B1 in complex with RNA 分子名称: Heterogeneous nuclear ribonucleoproteins A2/B1, RNA 著者 Wu, B.X, Su, S.C, Ma, J.B. 登録日 2017-01-01 公開日 2018-01-17 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Molecular basis for the specific and multivariant recognitions of RNA substrates by human hnRNP A2/B1. Nat Commun, 9, 2018
6NAN	NMR structure determination of Ixolaris and Factor X interaction reveals a noncanonical mechanism of Kunitz inhibition 分子名称: Ixolaris 著者 De Paula, V.S, Sgourakis, N.G, Francischetti, I.M.B, Almeida, F.C.L, Monteiro, R.Q, Valente, A.P. 登録日 2018-12-06 公開日 2019-06-12 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 NMR structure determination of Ixolaris and factor X(a) interaction reveals a noncanonical mechanism of Kunitz inhibition. Blood, 134, 2019

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