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

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6QSX	Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol. 分子名称: Complement factor B, SULFATE ION, ZINC ION, ... 著者 Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. 登録日 2019-02-22 公開日 2019-03-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
3LZY	Crystal structure of Endothiapesin in complex with Xenon 分子名称: Endothiapepsin, GLYCEROL, XENON 著者 Behnen, J, Krueger, H, Klebe, G, Heine, A. 登録日 2010-03-02 公開日 2011-05-25 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Old acquantance rediscover: use of xenon/protein complexes as a generic tool for SAD phasing of inhouse data To be Published
3M3A	The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Cu(II)-I107E FeBMb (Cu(II) binding to FeB site) 分子名称: COPPER (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. 登録日 2010-03-08 公開日 2010-05-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
3M0P	Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 4. 分子名称: SULFATE ION, Spectrin alpha chain, brain 著者 Camara-Artigas, A, Gavira, J.A. 登録日 2010-03-03 公開日 2011-01-19 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures Acta Crystallogr.,Sect.D, 2011
3M0S	Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 7 分子名称: SULFATE ION, Spectrin alpha chain, brain 著者 Camara-Artigas, A, Gavira, J.A. 登録日 2010-03-03 公開日 2011-01-19 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures Acta Crystallogr.,Sect.D, 2011
4ZE3	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with fluconazole 分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
4ZEE	X-ray structure of the bis-platinum lysozyme adduct formed in the reaction between the protein and the two drugs Cisplatin and Oxaliplatin (preparation 2) 分子名称: 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Cisplatin, ... 著者 Merlino, A. 登録日 2015-04-20 公開日 2015-05-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Oxaliplatin vs. cisplatin: competition experiments on their binding to lysozyme. Dalton Trans, 44, 2015
6QWW	HEWL lysozyme, crystallized from CuCl2 solution 分子名称: CHLORIDE ION, COPPER (II) ION, Lysozyme C 著者 Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. 登録日 2019-03-06 公開日 2019-03-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 HEWL lysozyme, crystallized from different chlorides To Be Published
4ZET	Blood dendritic cell antigen 2 (BDCA-2) complexed with GalGlcNAcMan 分子名称: C-type lectin domain family 4 member C, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose 著者 Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E. 登録日 2015-04-20 公開日 2015-05-27 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2. J.Biol.Chem., 290, 2015
6QWY	HEWL lysozyme, crystallized from NaCl solution 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. 登録日 2019-03-06 公開日 2019-03-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 HEWL lysozyme, crystallized from different chlorides To Be Published
3M39	The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Fe(II)-I107E FeBMb (Fe(II) binding to FeB site) 分子名称: FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. 登録日 2010-03-08 公開日 2010-05-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
3M9F	HIV protease complexed with compound 10b 分子名称: CHLORIDE ION, HIV-1 protease, N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide 著者 Su, H.P. 登録日 2010-03-22 公開日 2010-06-30 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3MA3	Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a naphtho-difuran ligand 分子名称: Pimtide, Proto-oncogene serine/threonine-protein kinase pim-1, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid 著者 Filippakopoulos, P, Bullock, A, Fedorov, O, Vollmar, M, von Delft, F, Cochet, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2010-03-23 公開日 2010-04-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights. Faseb J., 24, 2010
4Y3L	Endothiapepsin in complex with fragment 205 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library To Be Published
4Y8X	Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate 分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ... 著者 Sheriff, S. 登録日 2015-02-16 公開日 2015-05-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety. ACS Med Chem Lett, 6, 2015
4Y3Y	Endothiapepsin in complex with fragment B42 分子名称: 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.346 Å) 主引用文献 Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
4Y92	Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain E97T-Q128R mutant 分子名称: GLYCEROL, Protein-tyrosine kinase, SULFATE ION, ... 著者 Camara-Artigas, A, Bacarizo, J. 登録日 2015-02-16 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain E97T-Q128R mutant to be published
4Y4B	Endothiapepsin in complex with fragment 323 分子名称: 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline, ACETATE ION, Endothiapepsin, ... 著者 Fu, K, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.108 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3J	Endothiapepsin in complex with fragment B30 分子名称: 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2016-05-11 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
6RCB	Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 14 分子名称: (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, Casein kinase II subunit alpha, SULFATE ION 著者 Dalle Vedove, A, Lolli, G. 登録日 2019-04-11 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
6R8X	COAGULATION FACTOR XI CATALYTIC DOMAIN IN COMPLEX WITH FAB-PORTION OF MAA868 分子名称: Coagulation factor XI, anti-Factor-XI Fab fragment heavy chain MAA868, anti-Factor-XI Fab fragment light chain MAA868 著者 Schiering, N, Koch, A. 登録日 2019-04-02 公開日 2019-04-10 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 MAA868, a novel FXI antibody with a unique binding mode, shows durable effects on markers of anticoagulation in humans. Blood, 133, 2019
4Y3E	Endothiapepsin in complex with fragment 5 分子名称: 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y40	Structure of Vaspin mutant D305C V383C 分子名称: 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 著者 Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. 登録日 2015-02-10 公開日 2015-08-12 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
4Y3Q	Endothiapepsin in complex with fragment 109 分子名称: 4-(diethylamino)benzohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6RCM	Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 分子名称: (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... 著者 Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. 登録日 2019-04-11 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020

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