PDB: 245663 件ウェブページステータス検索Chemie searchBIRD

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7HEK	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003681 分子名称: Non-structural protein 3, [(1s,4s)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol, trifluoroacetic acid 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
5CQW	Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry 分子名称: 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha, ... 著者 Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A. 登録日 2015-07-22 公開日 2015-09-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors Rsc Adv, 5, 2015
4DFI	Crystal structure of cell adhesion molecule nectin-2/CD112 mutant FAMP 分子名称: Poliovirus receptor-related protein 2 著者 Liu, J, Qian, X, Chen, Z, Xu, X, Gao, F, Zhang, S, Zhang, R, Qi, J, Gao, G.F, Yan, J. 登録日 2012-01-23 公開日 2012-06-06 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of Cell Adhesion Molecule Nectin-2/CD112 and Its Binding to Immune Receptor DNAM-1/CD226 J.Immunol., 188, 2012
2B4B	SSAT+COA+BE-3-3-3, K26R mutant 分子名称: COENZYME A, Diamine acetyltransferase 1, N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE 著者 Bewley, M.C, Graziano, V, Jiang, J.S, Matz, E, Studier, F.W, Pegg, A.P, Coleman, C.S, Flanagan, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2005-09-23 公開日 2006-01-17 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of wild-type and mutant human spermidine/spermine N1-acetyltransferase, a potential therapeutic drug target Proc.Natl.Acad.Sci.Usa, 103, 2006
3PRY	Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ... 著者 Chaikuad, A, Pilka, E, Sharpe, T.D, Cooper, C.D.O, Phillips, C, Berridge, G, Ayinampudi, V, Fedorov, O, Keates, T, Thangaratnarajah, C, Zimmermann, T, Vollmar, M, Yue, W.W, Che, K.H, Krojer, T, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bullock, A, Structural Genomics Consortium (SGC) 登録日 2010-11-30 公開日 2010-12-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution To be Published
7HQY	PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1117899682 分子名称: 2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... 著者 Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. 登録日 2024-12-23 公開日 2025-08-13 実験手法 X-RAY DIFFRACTION (1.677 Å) 主引用文献 PanDDA analysis group deposition To Be Published
4GUB	Casein Kinase II bound to Inhibitor 分子名称: CHLORIDE ION, Casein kinase II subunit alpha, N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide 著者 Larsen, N.A, Dowling, J.E. 登録日 2012-08-29 公開日 2013-09-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Potent and selective inhibitors of CK2 kinase. To be Published
1QJ4	HYDROXYNITRILE-LYASE FROM HEVEA BRASILIENSIS AT ATOMIC RESOLUTION 分子名称: GLYCEROL, HYDROXYNITRILE LYASE, SULFATE ION 著者 Gugganig, M, Gruber, K, Kratky, C. 登録日 1999-06-21 公開日 1999-10-10 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Atomic Resolution Crystal Structure of Hydroxynitrile Lyase from Hevea Brasiliensis Biol.Chem., 380, 1999
5TYF	DNA Polymerase Mu Product Complex, 10 mM Mg2+ (270 min) 分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Jamsen, J.A, Wilson, S.H. 登録日 2016-11-19 公開日 2017-08-30 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.971 Å) 主引用文献 Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
3M7Q	Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean sea anemone stichodactyla helianthus in complex with bovine pancreatic trypsin 分子名称: Cationic trypsin, Kunitz-type proteinase inhibitor SHPI-1, PHOSPHATE ION 著者 Garcia-Fernandez, R, Redecke, L, Pons, T, Perbandt, M, Gil, D, Talavera, A, Gonzalez, Y, de los angeles Chavez, M, Betzel, C. 登録日 2010-03-17 公開日 2011-03-16 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural insights into serine protease inhibition by a marine invertebrate BPTI Kunitz-type inhibitor. J.Struct.Biol., 180, 2012
5TYW	DNA Polymerase Mu Reactant Complex, Mn2+ (10 min) 分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Jamsen, J.A, Wilson, S.H. 登録日 2016-11-21 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
2B8T	Crystal structure of Thymidine Kinase from U.urealyticum in complex with thymidine 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, THYMIDINE, Thymidine kinase, ... 著者 Kosinska, U, Carnrot, C, Eriksson, S, Wang, L, Eklund, H. 登録日 2005-10-10 公開日 2005-12-20 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of the substrate complex of thymidine kinase from Ureaplasma urealyticum and investigations of possible drug targets for the enzyme FEBS Lett., 272, 2005
7HST	PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z2574937229 分子名称: (S)-1-(4-methoxyphenyl)-1-phenylmethanamine, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... 著者 Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. 登録日 2024-12-23 公開日 2025-08-13 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 PanDDA analysis group deposition To Be Published
2YFD	STRUCTURAL AND FUNCTIONAL INSIGHTS OF DR2231 PROTEIN, THE MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE FROM DEINOCOCCUS RADIODURANS, COMPLEXED WITH Mg and dUMP 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ACETATE ION, CHLORIDE ION, ... 著者 Goncalves, A.M.D, De Sanctis, D, Mcsweeney, S.M. 登録日 2011-04-05 公開日 2011-07-06 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.767 Å) 主引用文献 Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans. J.Biol.Chem., 286, 2011
6T2L	Streptavidin variants harbouring an artificial organocatalyst based cofactor 分子名称: 1,2-ETHANEDIOL, 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, GLYCEROL, ... 著者 Lechner, H, Hocker, B. 登録日 2019-10-09 公開日 2020-10-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*. Chembiochem, 22, 2021
2YHK	D214A mutant of tyrosine phenol-lyase from Citrobacter freundii 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ... 著者 Milic, D, Demidkina, T.V, Matkovic-Calogovic, D, Antson, A.A. 登録日 2011-05-03 公開日 2012-05-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Crystal Structure of Citrobacter Freundii Asp214Ala Tyrosine Phenol-Lyase Reveals that Asp214 is Critical for Maintaining a Strain in the Internal Aldimine Croatica Chemica Acta, 85, 2012
3PYA	Crystal structure of ent-copalyl diphosphate synthase from Arabidopsis thaliana in complex with (S)-15-aza-14,15-dihydrogeranylgeranyl thiolodiphosphate 分子名称: Ent-copalyl diphosphate synthase, chloroplastic, GLYCEROL, ... 著者 Koksal, M, Christianson, D.W. 登録日 2010-12-12 公開日 2011-05-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure of ent-Copalyl Diphosphate Synthase from Arabidopsis thaliana, a Protonation-Dependent Diterpene Cyclase To be Published
2YJ5	Conformational changes in the catalytic domain of the CPx-ATPase CopB- B upon nucleotide binding 分子名称: 5'-O-[(S)-hydroxy{[(R)-hydroxy({(S)-hydroxy[(1S)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosine, ADENOSINE-5'-TRIPHOSPHATE, COPPER-TRANSPORTING ATPASE 著者 Voellmecke, C, Schlicker, C, Luebben, M, Hofmann, E. 登録日 2011-05-18 公開日 2012-05-30 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Conformational Changes in the Catalytic Domain of the Cpx-ATPase Copb-B Upon Nucleotide Binding To be Published
7MFH	Crystal structure of BIO-32546 bound mouse Autotaxin 分子名称: (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Chodaparambil, J.V. 登録日 2021-04-09 公開日 2022-04-13 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546. Acs Med.Chem.Lett., 12, 2021
4P8V	The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc2) were solved to resolutions of 1.5 angstrom 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION 著者 Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. 登録日 2014-04-01 公開日 2014-12-03 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
5D0S	Yeast 20S proteasome beta5-D166N mutant in complex with Carfilzomib 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... 著者 Huber, E.M, Groll, M. 登録日 2015-08-03 公開日 2016-03-23 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
3MSL	Fragment Based Discovery and Optimisation of BACE-1 Inhibitors 分子名称: (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, IODIDE ION 著者 Smith, M, Madden, J, Barker, J. 登録日 2010-04-29 公開日 2010-07-14 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
5OR6	Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid 分子名称: (~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ... 著者 Freigang, J. 登録日 2017-08-15 公開日 2018-06-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses Eur.J.Org.Chem., 2018
2XHX	Structure of HSP90 with small molecule inhibitor bound 分子名称: 2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. 登録日 2010-06-21 公開日 2010-09-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.801 Å) 主引用文献 Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
5U24	X-ray structure of the WlaRG aminotransferase from campylobacter jejuni, K184A mutant in complex with TDP-Fuc3N 分子名称: (2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Holden, H.M, Thoden, J.B, Dow, G.T, Gilbert, M. 登録日 2016-11-29 公開日 2017-01-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase. Protein Sci., 26, 2017

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