4Y82
| Yeast 20S proteasome in complex with Ac-LAY-ep | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAY-ep, CHLORIDE ION, ... | 著者 | Huber, E.M, Groll, M. | 登録日 | 2015-02-16 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4U2S
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4U82
| Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate | 分子名称: | Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | 著者 | Zhu, W, Oldfield, E. | 登録日 | 2014-07-31 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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6NUO
| Modified tRNA(Pro) bound to Thermus thermophilus 70S (cognate) | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M. | 登録日 | 2019-02-01 | 公開日 | 2020-10-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing. Elife, 9, 2020
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2V8E
| Crystal structure of Human Complement Factor H, SCR domains 6-8 (H402 risk variant), in complex with ligand. | 分子名称: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CHLORIDE ION, COMPLEMENT FACTOR H, ... | 著者 | Prosser, B.E, Johnson, S, Roversi, P, Herbert, A.P, Blaum, B.S, Tyrrell, J, Jowitt, T.A, Clark, S.J, Tarelli, E, Uhrin, D, Barlow, P.N, Sim, R.B, Day, A.J, Lea, S.M. | 登録日 | 2007-08-07 | 公開日 | 2007-10-02 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Basis for Complement Factor H Linked Age-Related Macular Degeneration. J.Exp.Med., 204, 2007
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7K6N
| Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | 著者 | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | 登録日 | 2020-09-21 | 公開日 | 2021-01-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7K7K
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8ACL
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | 登録日 | 2022-07-05 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
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5JHA
| Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2 | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | 著者 | Burke, J.E, Inglis, A.J, Williams, R.L. | 登録日 | 2016-04-20 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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2V4E
| A non-cytotoxic DsRed variant for whole-cell labeling | 分子名称: | RED FLUORESCENT PROTEIN DRFP583 | 著者 | Strack, R.L, Strongin, D.E, Bhattacharyya, D, Tao, W, Berman, A, Broxmeyer, H.E, Keenan, R.J, Glick, B.S. | 登録日 | 2008-09-20 | 公開日 | 2008-11-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A Noncytotoxic Dsred Variant for Whole-Cell Labeling. Nat.Methods, 5, 2008
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1T4T
| arginase-dinor-NOHA complex | 分子名称: | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE, Arginase 1, MANGANESE (II) ION | 著者 | Cama, E, Pethe, S, Boucher, J.-L, Shoufa, H, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W. | 登録日 | 2004-04-30 | 公開日 | 2005-04-12 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Inhibitor coordination interactions in the binuclear manganese cluster of arginase Biochemistry, 43, 2004
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2OBO
| Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | 分子名称: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-19 | 公開日 | 2007-07-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2X0L
| Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1. | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3 PEPTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | Zibetti, C, Adamo, A, Binda, C, Forneris, F, Verpelli, C, Ginelli, E, Mattevi, A, Sala, C, Battaglioli, E. | 登録日 | 2009-12-15 | 公開日 | 2010-03-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Alternative Splicing of the Histone Demethylase Lsd1/Kdm1 Contributes to the Modulation of Neurite Morphogenesis in the Mammalian Nervous System. J.Neurosci., 30, 2010
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5JJM
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6WLH
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8A8M
| Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6 | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | 著者 | Bowler, M.W, Juyoux, P, Pellegrini, E. | 登録日 | 2022-06-23 | 公開日 | 2022-07-13 | 最終更新日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation. Science, 381, 2023
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2OD3
| Human thrombin chimera with human residues 184a, 186, 186a, 186b, 186c and 222 replaced by murine thrombin equivalents. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ... | 著者 | Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E. | 登録日 | 2006-12-21 | 公開日 | 2007-04-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis of na+ activation mimicry in murine thrombin. J.Biol.Chem., 282, 2007
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5DCW
| Iridoid synthase from Catharanthus roseus - ligand free structure | 分子名称: | 1,2-ETHANEDIOL, Iridoid synthase | 著者 | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | 登録日 | 2015-08-24 | 公開日 | 2015-10-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural determinants of reductive terpene cyclization in iridoid biosynthesis. Nat.Chem.Biol., 12, 2016
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1Y7H
| Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | 分子名称: | THIOCYANATE ION, salicylic acid-binding protein 2 | 著者 | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2004-12-08 | 公開日 | 2004-12-28 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity Proc.Natl.Acad.Sci.Usa, 102, 2005
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7MWD
| HUWE1 in map with focus on HECT | 分子名称: | E3 ubiquitin-protein ligase HUWE1 | 著者 | Hunkeler, M, Fischer, E.S. | 登録日 | 2021-05-16 | 公開日 | 2021-07-28 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Solenoid architecture of HUWE1 contributes to ligase activity and substrate recognition. Mol.Cell, 81, 2021
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6WX3
| High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form. | 分子名称: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | 登録日 | 2020-05-09 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form. To be Published
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1P8Q
| Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Cluster of Arginase I. | 分子名称: | Arginase 1, GLYCEROL, MANGANESE (II) ION | 著者 | Cama, E, Emig, F.A, Ash, D.E, Christianson, D.W. | 登録日 | 2003-05-07 | 公開日 | 2003-06-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural and functional importance of first-shell metal ligands in the binuclear
manganese cluster of arginase I Biochemistry, 42, 2003
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7MWF
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5J47
| The X-ray structure of Inhibitor Bound to JCV Helicase | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, Large T antigen, ... | 著者 | Ter Haar, E. | 登録日 | 2016-03-31 | 公開日 | 2016-07-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J.Med.Chem., 59, 2016
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8A3I
| X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 3 heptad repeats, apCC-Tet*3 | 分子名称: | apCC-Tet*3 | 著者 | Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N. | 登録日 | 2022-06-08 | 公開日 | 2022-10-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles. Chem Sci, 13, 2022
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