PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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7RY7	Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasmepsin X 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-08-24 公開日 2022-02-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures of plasmepsin X from Plasmodium falciparum reveal a novel inactivation mechanism of the zymogen and molecular basis for binding of inhibitors in mature enzyme. Protein Sci., 31, 2022
5JQ1	Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactosamine mimic 分子名称: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ... 著者 Liu, S. 登録日 2016-05-04 公開日 2017-06-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor. J. Am. Chem. Soc., 139, 2017
5JOJ	Calcium-loaded EF-hand domain of L-plastin 分子名称: CALCIUM ION, Plastin-2 著者 Ishida, H, Jensen, K.V, Woodman, G.W, Hyndman, M.E, Vogel, H.J. 登録日 2016-05-02 公開日 2017-04-19 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 The Calcium-Dependent Switch Helix of L-Plastin Regulates Actin Bundling. Sci Rep, 7, 2017
5JQ5	Crystal structure of CDK2 in complex with inhibitor ICEC0942 分子名称: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, ACETATE ION, Cyclin-dependent kinase 2 著者 Hazel, P, Freemont, P.S. 登録日 2016-05-04 公開日 2017-02-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study. ChemMedChem, 12, 2017
5HR0	Crystal structure of thioredoxin E101G mutant 分子名称: COPPER (II) ION, Thioredoxin 著者 Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. 登録日 2016-01-22 公開日 2017-02-22 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
5JQ8	Crystal structure of CDK2 in complex with inhibitor ICEC0943 分子名称: (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 著者 Hazel, P, Freemont, P.S. 登録日 2016-05-04 公開日 2017-02-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study. ChemMedChem, 12, 2017
5JQU	Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) variant with iron(III) deuteroporphyrin IX bound 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, FE(III) DEUTEROPORPHYRIN IX 著者 Reynolds, E.W, McHenry, M.W, Cannac, F, Gober, J.G, Snow, C.D, Brustad, E.M. 登録日 2016-05-05 公開日 2016-09-28 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.162 Å) 主引用文献 An Evolved Orthogonal Enzyme/Cofactor Pair. J.Am.Chem.Soc., 138, 2016
5FBE	COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2 分子名称: Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate 著者 Ostermann, N, Zink, F. 登録日 2015-12-14 公開日 2016-10-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Small-molecule factor D inhibitors targeting the alternative complement pathway. Nat.Chem.Biol., 12, 2016
5M44	Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under high-salt conditions 分子名称: 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha 著者 Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. 登録日 2016-10-18 公開日 2017-01-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
5LHS	The ligand free catalytic domain of murine urokinase-type plasminogen activator 分子名称: NICKEL (II) ION, SULFATE ION, 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 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.047 Å) 主引用文献 Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
5LJA	Structure of the E. coli MacB ABC domain (P6122) 分子名称: Macrolide export ATP-binding/permease protein MacB 著者 Crow, A. 登録日 2016-07-18 公開日 2017-11-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5LJE	Crystal structure of holo human CRBP1/K40L,Q108L 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 (1.4 Å) 主引用文献 Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
7SIU	Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 分子名称: 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION 著者 Longenecker, K.L, Korepanova, A, Qiu, W. 登録日 2021-10-14 公開日 2022-03-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.786 Å) 主引用文献 The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy. Acs Chem.Biol., 17, 2022
8SWB	RNase H complex with streopure ASO and RNA 分子名称: DI(HYDROXYETHYL)ETHER, DNA (5'-R(*(OMC)P*(N7X)P*(T39)P*(C5L)P*(A2M))-D(P*(SC)P*(PST)P*(SC)P*AP*(SC)P*(SC)P*(RC)P*(AS)P*(SC)P*(PST))-R(P*(6OO)P*(RFJ)P*(6OO)P*(6OO)P*(6NW))-3'), GLYCEROL, ... 著者 Cho, Y.-J, Iwamoto, N. 登録日 2023-05-18 公開日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level To Be Published
5LCR	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04) 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ... 著者 Wienen-Schmidt, B, Heine, A, Klebe, G. 登録日 2016-06-22 公開日 2018-01-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.565 Å) 主引用文献 Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives To Be Published
5LXC	Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1) 分子名称: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate 著者 Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2016-09-20 公開日 2016-10-26 最終更新日 2017-01-11 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases. J. Med. Chem., 59, 2016
5LYO	Crystal structure of the zymogen matriptase catalytic domain 分子名称: SULFATE ION, Suppressor of tumorigenicity 14 protein 著者 Hong, Z, Jensen, J.K. 登録日 2016-09-28 公開日 2017-10-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.498 Å) 主引用文献 Blocking the proteolytic activity of zymogen matriptase with antibody-based inhibitors. J.Biol.Chem., 294, 2019
7SHI	Crystal Structure of Cytochrome P450 AmphL from Streptomyces nodosus and the Structural Basis for Substrate Selectivity in Macrolide Metabolizing P450s 分子名称: AmphL, Amphotericin B, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Amaya, J.A, Poulos, T.L. 登録日 2021-10-08 公開日 2022-03-09 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural analysis of P450 AmphL from Streptomyces nodosus provides insights into substrate selectivity of polyene macrolide antibiotic biosynthetic P450s. J.Biol.Chem., 298, 2022
7RXP	Fab1512 in complex with the C-terminal alpha-TSR domain of P. falciparum 分子名称: Circumsporozoite protein, Fab1512 heavy chain, Fab1512 light chain 著者 Pholcharee, T, Oyen, D, Wilson, I.A. 登録日 2021-08-23 公開日 2022-03-16 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.761 Å) 主引用文献 A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum. Plos Pathog., 18, 2022
7RXI	Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum 分子名称: Circumsporozoite protein, Fab234 heavy chain, Fab234 light chain 著者 Pholcharee, T, Oyen, D, Wilson, I.A. 登録日 2021-08-23 公開日 2022-03-16 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum. Plos Pathog., 18, 2022
7RXL	Fab1488 in complex with the C-terminal alpha-TSR domain of P. falciparum 分子名称: Circumsporozoite protein, Fab1488 heavy chain, Fab1488 light chain 著者 Pholcharee, T, Oyen, D, Wilson, I.A. 登録日 2021-08-23 公開日 2022-03-16 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.823 Å) 主引用文献 A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum. Plos Pathog., 18, 2022
5M3S	Low-dose fixed target serial synchrotron crystallography structure of Metmyoglobin 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Axford, D, Owen, R.L, Sherrell, D, Muller-Werkmeister, H. 登録日 2016-10-17 公開日 2016-12-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Low-dose fixed-target serial synchrotron crystallography. Acta Crystallogr D Struct Biol, 73, 2017
7RXJ	Fab236 in complex with the C-terminal alpha-TSR domain of P. falciparum 分子名称: Circumsporozoite protein, Fab236 heavy chain, Fab236 light chain 著者 Pholcharee, T, Oyen, D, Wilson, I.A. 登録日 2021-08-23 公開日 2022-03-16 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.345 Å) 主引用文献 A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum. Plos Pathog., 18, 2022
7S0X	Fab352 in complex with the C-terminal alphaTSR domain of P. falciparum 分子名称: Circumsporozoite protein, Fab352 heavy chain, Fab352 light chain 著者 Pholcharee, T, Oyen, D, Wilson, I.A. 登録日 2021-08-31 公開日 2022-03-16 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum. Plos Pathog., 18, 2022
5IDD	Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding to histidine in a protein Struct. Dyn. 1, 034701 (2014) regarding the refinement of 4mwk, 4mwm, 4mwn and 4oxe and the method we have adopted. 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... 著者 Tanley, S.W.M, Helliwell, J.R. 登録日 2016-02-24 公開日 2016-05-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn., 3, 2016

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