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

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5JYM	Human P-cadherin EC12 with scFv TSP11 bound 分子名称: Antibody scFv TSP11, CALCIUM ION, Cadherin-3 著者 Caaveiro, J.M.M, Kudo, S, Tsumoto, K. 登録日 2016-05-14 公開日 2016-12-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Disruption of cell adhesion by an antibody targeting the cell-adhesive intermediate (X-dimer) of human P-cadherin Sci Rep, 7, 2017
6KFW	The cytochrome P450 enzyme CxnD for C-S bond formation in chuangxinmycin biosynthesis 分子名称: (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid, CxnD, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hong, B. 登録日 2019-07-09 公開日 2020-07-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Cytochrome P450 Catalyzing C-S Bond Formation in S-Heterocyclization of Chuangxinmycin Biosynthesis. Angew.Chem.Int.Ed.Engl., 60, 2021
7MK8	Crystal structure of a surface mutant of human fetal-specific CYP3A7 bound to dithiothreitol 分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Isoform 2 of Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sevrioukova, I.F. 登録日 2021-04-21 公開日 2021-06-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural Basis for the Diminished Ligand Binding and Catalytic Ability of Human Fetal-Specific CYP3A7. Int J Mol Sci, 22, 2021
5JZN	Crystal structure of DCLK1-KD in complex with NVP-TAE684 分子名称: 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, SULFATE ION, Serine/threonine-protein kinase DCLK1 著者 Patel, O, Lucet, I. 登録日 2016-05-17 公開日 2016-08-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1. Structure, 24, 2016
6A1C	Crystal structure of the CK2a1-go289 complex 分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol, Casein kinase II subunit alpha, ... 著者 Kinoshita, T, Tsuyuguchi, M. 登録日 2018-06-07 公開日 2019-03-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Cell-based screen identifies a new potent and highly selective CK2 inhibitor for modulation of circadian rhythms and cancer cell growth. Sci Adv, 5, 2019
7TZK	EPS8 SH3 Domain with NleH1 PxxDY Motif 分子名称: Epidermal growth factor receptor kinase substrate 8, T3SS secreted effector NleH homolog 著者 Grishin, A.M, Cygler, M. 登録日 2022-02-15 公開日 2022-07-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Targeting of microvillus protein Eps8 by the NleH effector kinases from enteropathogenic E. coli Proc.Natl.Acad.Sci.USA, 119, 2022
5K1L	Dehaloperoxidase B from Amphitrite ornata: benzimidazole complex 分子名称: BENZIMIDAZOLE, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Moreno Chicano, T, Hough, M.A. 登録日 2016-05-18 公開日 2017-06-07 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Dehaloperoxidase B from Amphitrite ornata: benzimidazole complex to be published
6A7I	CYP154C4 from Streptomyces sp. W2061 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Lee, C.W, Lee, J.H. 登録日 2018-07-03 公開日 2019-01-16 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Characterization of two steroid hydroxylases from different Streptomyces spp. and their ligand-bound and -unbound crystal structures. Febs J., 286, 2019
6KC4	Crystal structure of human Fer SH2 domain bound to a phosphopeptide (DEpYENVD) 分子名称: Tyrosine-protein kinase Fer, phosphopeptide (EDpYENVD) 著者 Matsuura, Y. 登録日 2019-06-27 公開日 2019-09-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 High-resolution structural analysis shows how different crystallographic environments can induce alternative modes of binding of a phosphotyrosine peptide to the SH2 domain of Fer tyrosine kinase. Protein Sci., 28, 2019
8DZ7	Hen lysozyme in orthorhombic space group at ambient temperature - diffuse scattering dataset 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Meisburger, S.P, Imran, S.M.S, Ando, N. 登録日 2022-08-06 公開日 2022-09-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Robust total X-ray scattering workflow to study correlated motion of proteins in crystals. Nat Commun, 14, 2023
7U8H	Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit 分子名称: 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... 著者 Phan, J, Fesik, S.W. 登録日 2022-03-08 公開日 2022-11-09 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.702 Å) 主引用文献 Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
621P	THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES 分子名称: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. 登録日 1991-06-06 公開日 1994-01-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules. Cell(Cambridge,Mass.), 62, 1990
6A10	Crystal structure of hen egg white lysozyme crystallized by ammonium sulfate 分子名称: Lysozyme C, SULFATE ION 著者 Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T. 登録日 2018-06-06 公開日 2019-02-20 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization Cryst.Growth Des., 19, 2019
8JAH	Crystal structure of human CLEC12A C-type lectin domain 分子名称: C-type lectin domain family 12 member A, POTASSIUM ION, SULFATE ION 著者 Lei, Q, Tang, H, Dong, X. 登録日 2023-05-06 公開日 2024-03-13 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Mechanistic insights into the C-type lectin receptor CLEC12A-mediated immune recognition of monosodium urate crystal. J.Biol.Chem., 300, 2024
7M8V	Human CYP11B2 in complex with LCI699 分子名称: 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile, Cytochrome P450 11B2, mitochondrial, ... 著者 Scott, E.E, Brixius-Anderko, S. 登録日 2021-03-30 公開日 2021-06-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.08 Å) 主引用文献 Aldosterone Synthase Structure With Cushing Disease Drug LCI699 Highlights Avenues for Selective CYP11B Drug Design. Hypertension, 78, 2021
6KHA	Solution structure of bovine insulin amyloid intermediate-2 分子名称: Insulin A chain, Insulin B chain 著者 Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A. 登録日 2019-07-14 公開日 2020-08-12 最終更新日 2020-11-18 実験手法 SOLUTION NMR 主引用文献 High-resolution structure of a partially folded insulin aggregation intermediate. Proteins, 88, 2020
8IYX	Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 分子名称: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 著者 Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. 登録日 2023-04-06 公開日 2024-03-20 実験手法 ELECTRON MICROSCOPY (3.34 Å) 主引用文献 Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Proc.Natl.Acad.Sci.USA, 120, 2023
7MCK	Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18 分子名称: N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1 著者 Palte, R. 登録日 2021-04-02 公開日 2021-06-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors. Rsc Med Chem, 12, 2021
8E52	MicroED structure of proteinase K recorded on K2 分子名称: CALCIUM ION, Proteinase K 著者 Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. 登録日 2022-08-19 公開日 2022-09-21 最終更新日 2022-10-19 実験手法 ELECTRON CRYSTALLOGRAPHY (2.8 Å) 主引用文献 Electron-counting MicroED data with the K2 and K3 direct electron detectors. J.Struct.Biol., 214, 2022
5K5L	Homo sapiens CCCTC-binding factor (CTCF) ZnF6-8 and H19 sequence DNA complex structure 分子名称: DNA (5'-D(*GP*TP*TP*GP*CP*CP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*AP*CP*GP*CP*GP*GP*CP*AP*AP*C)-3'), Transcriptional repressor CTCF, ... 著者 Hashimoto, H, Cheng, X. 登録日 2016-05-23 公開日 2017-05-24 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.125 Å) 主引用文献 Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA. Mol. Cell, 66, 2017
7U5B	Structure of Human KLK5 bound to anti-KLK5 Fab 分子名称: Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ... 著者 Yin, J, Sudhamsu, J. 登録日 2022-03-02 公開日 2022-12-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.371 Å) 主引用文献 Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis. Sci Transl Med, 14, 2022
6AGN	Structure of HEWL co-crystallised with Cinnamaldehyde 分子名称: (2E)-3-phenylprop-2-enal, (2Z)-3-phenylprop-2-enal, 1,2-ETHANEDIOL, ... 著者 Seyedarabi, A, Seraj, Z. 登録日 2018-08-13 公開日 2019-08-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 The role of Cinnamaldehyde and Phenyl ethyl alcohol as two types of precipitants affecting protein hydration levels. Int.J.Biol.Macromol., 146, 2019
5K7K	Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771 分子名称: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE 著者 Swain, N, Chrencik, J. 登録日 2016-05-26 公開日 2017-06-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7. J. Med. Chem., 60, 2017
8E53	MicroED structure of proteinase K recorded on K3 分子名称: CALCIUM ION, Proteinase K 著者 Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. 登録日 2022-08-19 公開日 2022-09-21 最終更新日 2022-10-19 実験手法 ELECTRON CRYSTALLOGRAPHY (1.7 Å) 主引用文献 Electron-counting MicroED data with the K2 and K3 direct electron detectors. J.Struct.Biol., 214, 2022
5K7R	MicroED structure of trypsin at 1.7 A resolution 分子名称: CALCIUM ION, Cationic trypsin 著者 de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. 登録日 2016-05-26 公開日 2017-04-05 最終更新日 2018-08-22 実験手法 ELECTRON CRYSTALLOGRAPHY (1.7 Å) 主引用文献 Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED. Nat. Methods, 14, 2017

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