PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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7ENT	Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-13 and ATP 分子名称: (5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Xu, M, Chen, S. 登録日 2021-04-19 公開日 2022-02-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents. Acs Chem.Biol., 17, 2022
5R21	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E07, DMSO-free 分子名称: 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine, Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.047 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
3IXQ	Structure of ribose 5-phosphate isomerase a from methanocaldococcus jannaschii 分子名称: ACETATE ION, CHLORIDE ION, Ribose-5-phosphate isomerase A, ... 著者 Antonyuk, S.V, Ellis, M.J, Strange, R.W, Hasnain, S.S, Bessho, Y, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2009-09-04 公開日 2009-10-06 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 The structure of an archaeal ribose-5-phosphate isomerase from Methanocaldococcus jannaschii (MJ1603). Acta Crystallogr.,Sect.F, 65, 2009
3MWO	Human carbonic anhydrase II in a doubled monoclinic cell: a re-determination 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Robbins, A.H, McKenna, R. 登録日 2010-05-06 公開日 2010-06-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Emerging from pseudo-symmetry: the redetermination of human carbonic anhydrase II in monoclinic P2(1) with a doubled a axis. Acta Crystallogr.,Sect.D, 66, 2010
5R8F	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z2377835233 in complex with INTERLEUKIN-1 BETA 分子名称: 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
4HO5	Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with TDP-glucose 分子名称: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, Glucose-1-phosphate thymidylyltransferase, SULFATE ION 著者 Chen, T.J, Chien, W.T, Lin, C.C, Wang, W.C. 登録日 2012-10-22 公開日 2013-10-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with TDP-glucose TO BE PUBLISHED
4RT7	Crystal Structure of FLT3 with a small molecule inhibitor 分子名称: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 著者 Zhang, Y, Zhang, C. 登録日 2014-11-13 公開日 2015-04-22 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Characterizing and Overriding the Structural Mechanism of the Quizartinib-Resistant FLT3 "Gatekeeper" F691L Mutation with PLX3397. Cancer Discov, 5, 2015
5REJ	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102241 分子名称: 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
2E9P	Structure of h-CHK1 complexed with A771129 分子名称: 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA, Serine/threonine-protein kinase Chk1 著者 Park, C. 登録日 2007-01-26 公開日 2008-01-29 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-Based Design, Synthesis and Biological Evaluation of Potent and Selective Macrocyclic Chk1 Inhibitors To be Published
3TJE	Crystal structure of Fas receptor extracellular domain in complex with Fab E09 分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... 著者 Zuger, S, Stirnimann, C, Briand, C, Grutter, M.G. 登録日 2011-08-24 公開日 2012-05-09 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 A series of Fas receptor agonist antibodies that demonstrate an inverse correlation between affinity and potency. Cell Death Differ., 19, 2012
1EQ7	CORE STRUCTURE OF THE OUTER MEMBRANE LIPOPROTEIN FROM ESCHERICHIA COLI AT 1.9 ANGSTROM RESOLUTION 分子名称: OUTER MEMBRANE LIPOPROTEIN 著者 Shu, W, Liu, J, Ji, H, Lu, M. 登録日 2000-04-03 公開日 2000-06-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Core structure of the outer membrane lipoprotein from Escherichia coli at 1.9 A resolution. J.Mol.Biol., 299, 2000
5RY7	INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1267773591 分子名称: 1-[(oxan-4-yl)methyl]piperazine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 著者 Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. 登録日 2020-10-30 公開日 2020-11-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 2024
5RF5	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482 分子名称: 1,1-bis(oxidanylidene)thietan-3-ol, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
4HKO	Crystal Structures of Mutant Endo-beta-1,4-xylanase II (E177Q) in the apo form 分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION 著者 Langan, P, Wan, Q, Coates, L, Kovalevsky, A. 登録日 2012-10-15 公開日 2014-01-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
1ESJ	CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) 分子名称: HYDROXYETHYLTHIAZOLE KINASE, SULFATE ION 著者 Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. 登録日 2000-04-10 公開日 2000-08-09 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry, 39, 2000
1YGT	Dynein Light Chain TcTex-1 分子名称: Cytoplasmic dynein light chain, SULFATE ION 著者 Williams, J.C, Xie, H, Hendrickson, W.A. 登録日 2005-01-05 公開日 2005-02-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of dynein light chain TcTex-1. J.Biol.Chem., 280, 2005
4C4S	Structure of beta-phosphoglucomutase in complex with an alpha- fluorophosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride 分子名称: (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... 著者 Pellegrini, E, Bowler, M.W. 登録日 2013-09-09 公開日 2014-07-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction. Proc.Natl.Acad.Sci.USA, 111, 2014
3GIW	CRYSTAL STRUCTURE OF a DUF574 family protein (SAV_2177) FROM STREPTOMYCES AVERMITILIS MA-4680 AT 1.45 A RESOLUTION 分子名称: GLYCEROL, Protein of unknown function DUF574, UNKNOWN LIGAND 著者 Joint Center for Structural Genomics (JCSG) 登録日 2009-03-06 公開日 2009-04-14 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystal structure of Rossmann-fold protein of unknown function (DUF574) (NP_823353.1) from Streptomyces avermitilis MA-4680 at 1.45 A resolution To be published
2X65	Crystal structure of T. maritima GDP-mannose pyrophosphorylase in complex with mannose-1-phosphate. 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-O-phosphono-alpha-D-mannopyranose, ... 著者 Pelissier, M.C, Lesley, S, Kuhn, P, Bourne, Y. 登録日 2010-02-15 公開日 2010-06-23 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Insights Into the Catalytic Mechanism of Bacterial Guanosine-Diphospho-D-Mannose Pyrophosphorylase and its Regulation by Divalent Ions. J.Biol.Chem., 285, 2010
2WHM	Cellvibrio japonicus Man26A E121A and E320G double mutant in complex with mannobiose 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA MANNANASE, MAN26A, ... 著者 Durcos, V.M.A, Davies, G.J, Flint, J.E, Gilbert, H.J. 登録日 2009-05-05 公開日 2009-05-26 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates. Biochemistry, 48, 2009
1YAR	Structure of Archeabacterial 20S proteasome mutant D9S- PA26 complex 分子名称: GLYCEROL, Proteasome alpha subunit, Proteasome beta subunit, ... 著者 Forster, A, Masters, E.I, Whitby, F.G, Robinson, H, Hill, C.P. 登録日 2004-12-17 公開日 2005-07-26 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The 1.9 A structure of a proteasome-11S activator complex and implications for proteasome-PAN/PA700 interactions. Mol.Cell, 18, 2005
7EQ4	Crystal Structure of the N-terminus of Nonstructural protein 1 from SARS-CoV-2 分子名称: Host translation inhibitor nsp1 著者 Liu, Y, Ke, Z, Hu, H, Zhao, K, Xiao, J, Xia, Y, Li, Y. 登録日 2021-04-29 公開日 2021-06-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structural Basis and Function of the N Terminus of SARS-CoV-2 Nonstructural Protein 1. Microbiol Spectr, 9, 2021
4CDC	Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide 分子名称: (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... 著者 Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. 登録日 2013-10-31 公開日 2014-03-19 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
3U6V	Crystal Structure Analysis of L23A mutant of human GST A1-1 分子名称: Glutathione S-transferase A1 著者 Fanucchi, S, Achilonu, I.A, Khoza, T.N, Fernandes, M.A, Gildenhuys, S, Dirr, H.W. 登録日 2011-10-13 公開日 2011-10-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure Analysis of L23A mutant of human GST A1-1 To be Published
4JHO	Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL 著者 Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R. 登録日 2013-03-05 公開日 2013-10-09 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase Acta Crystallogr.,Sect.D, 69, 2013

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