PDB: 37273 件ウェブページステータス検索Chemie searchBIRD

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5L90	The crystal structure of substrate-free CYP109E1 from Bacillus megaterium at 2.55 Angstrom resolution 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 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 (2.55 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
5L23	Crystal structure of the complex between the N-terminal SH3 domain of CrkII and a proline-rich ligand 分子名称: Adapter molecule crk, C3G derived peptide, DI(HYDROXYETHYL)ETHER 著者 Bhatt, V.S, Krieger, I, Sacchettini, J, Cho, J.-H. 登録日 2016-07-30 公開日 2016-09-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Crystal structure of the complex between the N-terminal SH3 domain of CrkII and a proline-rich ligand To Be Published
8HSK	Insulin single mutant INS-Q 分子名称: Insulin A chain, Insulin B chain, SULFATE ION 著者 Rao, S.S, Kundapura, S.V, Kulal, A, Ramagopal, U.A. 登録日 2022-12-19 公開日 2023-12-20 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Insulin single mutant INS-Q To Be Published
7F1D	Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide 分子名称: Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide 著者 Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. 登録日 2021-06-09 公開日 2022-02-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions. J.Med.Chem., 64, 2021
7F6J	Crystal structure of the PDZD8 coiled-coil domain - Rab7 complex 分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PDZ domain-containing protein 8, ... 著者 Khan, H, Chen, L, Tan, L, Im, Y.J. 登録日 2021-06-25 公開日 2022-02-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural basis of human PDZD8-Rab7 interaction for the ER-late endosome tethering. Sci Rep, 11, 2021
7F1G	BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide 分子名称: Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE 著者 Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. 登録日 2021-06-09 公開日 2022-02-23 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions. J.Med.Chem., 64, 2021
5LHR	The catalytic domain of murine urokinase-type plasminogen activator in complex with the active site binding inhibitory nanobody Nb22 分子名称: Camelid-Derived Antibody Fragment Nb22, Urokinase-type plasminogen activator 著者 Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. 登録日 2016-07-12 公開日 2017-06-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
5LI7	Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea 分子名称: 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 著者 Levy, C, Munro, A.W, Leys, D. 登録日 2016-07-14 公開日 2016-12-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
5LJD	Crystal structure of holo human CRBP1/K40L mutant 分子名称: RETINOL, Retinol-binding protein 1, SODIUM ION 著者 Zanotti, G, Vallese, F, Berni, R, Menozzi, I. 登録日 2016-07-18 公開日 2017-01-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
7FHS	Crystal structure of DYRK1A in complex with RD0392 分子名称: (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL 著者 Kikuchi, M, Sumida, T, Hosoya, T, Kii, I, Umehara, T. 登録日 2021-07-30 公開日 2022-03-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A. Eur.J.Med.Chem., 227, 2022
7FHT	Crystal structure of DYRK1A in complex with RD0448 分子名称: (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A 著者 Kikuchi, M, Sumida, Y, Hosoya, T, Kii, I, Umehara, T. 登録日 2021-07-30 公開日 2022-03-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A. Eur.J.Med.Chem., 227, 2022
5LEF	Rab6A:Kif20A complex 分子名称: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ISOPROPYL ALCOHOL, ... 著者 Bressanelli, G, Pylypenko, O, Houdusse, A. 登録日 2016-06-29 公開日 2017-11-15 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.088 Å) 主引用文献 Coupling fission and exit of RAB6 vesicles at Golgi hotspots through kinesin-myosin interactions. Nat Commun, 8, 2017
7FCW	X-ray structure of H2O-solvent lysozyme 分子名称: CHLORIDE ION, Lysozyme C, NICKEL (II) ION 著者 Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. 登録日 2021-07-15 公開日 2022-04-06 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
5LHP	The p-aminobenzamidine active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7 分子名称: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment, P-AMINO BENZAMIDINE, ... 著者 Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. 登録日 2016-07-12 公開日 2017-06-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
7FCU	X-ray structure of D2O-solvent lysozyme 分子名称: CHLORIDE ION, Lysozyme C, NICKEL (II) ION 著者 Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. 登録日 2021-07-15 公開日 2022-04-13 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
7EOD	MITF HLHLZ Delta AKE 分子名称: GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor 著者 Li, P, Liu, Z, Fang, P, Wang, J. 登録日 2021-04-22 公開日 2022-04-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy. Cell Res., 33, 2023
5LHN	The catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7 分子名称: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment Nb7, SULFATE ION, ... 著者 Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P, Andreasen, P.A. 登録日 2016-07-12 公開日 2017-06-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
5LLZ	Dehaloperoxidase B from Amphitrite ornata: benzotriazole complex 分子名称: 1H-benzotriazole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Chicano, T.M, Dworkowski, F.S.N, Hough, M.A. 登録日 2016-07-28 公開日 2017-08-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Dehaloperoxidase B from Amphitrite ornata: benzotriazole complex to be published
8IEB	Cryo-EM structure of GPR156 of GPR156-miniGo-scFv16 complex (local refine) 分子名称: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate 著者 Shin, J, Park, J, Cho, Y. 登録日 2023-02-15 公開日 2024-02-14 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (3.03 Å) 主引用文献 Constitutive activation mechanism of a class C GPCR. Nat.Struct.Mol.Biol., 31, 2024
8IEP	Cryo-EM structure of GPR156C/D of G-protein free GPR156 (local refine) 分子名称: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate 著者 Shin, J, Park, J, Cho, Y. 登録日 2023-02-15 公開日 2024-02-14 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (2.61 Å) 主引用文献 Constitutive activation mechanism of a class C GPCR. Nat.Struct.Mol.Biol., 31, 2024
5LNM	Crystal structure of D1050E mutant of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana 分子名称: Histidine kinase CKI1 著者 Otrusinova, O, Demo, G, Kaderavek, P, Jansen, S, Jasenakova, Z, Pekarova, B, Janda, L, Wimmerova, M, Hejatko, J, Zidek, L. 登録日 2016-08-05 公開日 2017-09-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana. J. Biol. Chem., 292, 2017
5LNN	Crystal structure of D1050A mutant of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana 分子名称: Histidine kinase CKI1 著者 Otrusinova, O, Demo, G, Kaderavek, P, Jansen, S, Jasenakova, Z, Pekarova, B, Janda, L, Wimmerova, M, Hejatko, J, Zidek, L. 登録日 2016-08-05 公開日 2017-09-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana. J. Biol. Chem., 292, 2017
5LHQ	The EGR-cmk active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7 分子名称: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment Nb7, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ... 著者 Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. 登録日 2016-07-12 公開日 2017-06-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
5LTL	Structure of human chemokine CCL16 分子名称: C-C motif chemokine 16, GLYCEROL, SODIUM ION 著者 Weiergraeber, O.H, Batra-Safferling, R, Haenel, K, Willbold, D. 登録日 2016-09-07 公開日 2018-05-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structure and dynamics of human chemokine CCL16 To Be Published
5LI8	Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole 分子名称: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 著者 Levy, C, Munro, A.W, Leys, D. 登録日 2016-07-14 公開日 2016-12-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017

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