4XBD
 
 | | 1.45A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Orthorhombic P Form) | | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE | | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | | 登録日 | 2014-12-16 | | 公開日 | 2015-03-25 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
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8PIM
 | | fully recruited RfaH bound to E. coli transcription complex paused at ops site (not complementary scaffold) | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | | 登録日 | 2023-06-22 | | 公開日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
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8TXY
 | | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | | 著者 | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | | 登録日 | 2023-08-24 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7PUG
 | | GH115 alpha-1,2-glucuronidase in complex with xylopentaose | | 分子名称: | CALCIUM ION, CHLORIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ... | | 著者 | Wilkens, C, Morth, J.P, Polikarpov, I. | | 登録日 | 2021-09-29 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | A GH115 alpha-glucuronidase structure reveals dimerization-mediated substrate binding and a proton wire potentially important for catalysis.
Acta Crystallogr D Struct Biol, 78, 2022
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6YPZ
 | | Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... | | 著者 | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | | 登録日 | 2020-04-16 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
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8PIB
 | | autoinhibited RfaH bound to E. coli transcription complex paused at ops site (encounter complex) | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | | 登録日 | 2023-06-21 | | 公開日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
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8PFG
 | | autoinhibited RfaH bound to E. coli transcription complex paused at ops site (encounter complex), not fully complementary scaffold | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | | 登録日 | 2023-06-15 | | 公開日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
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5F4N
 | | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | | 著者 | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J.Med.Chem., 59, 2016
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6P6K
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4XOJ
 | | Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1) | | 分子名称: | 1,2-ETHANEDIOL, AMMONIUM ION, CALCIUM ION, ... | | 著者 | Golik, P, Malicki, S, Grudnik, P, Karna, N, Debowski, D, Legowska, A, Wladyka, B, Gitlin, A, Brzozowski, K, Dubin, G, Rolka, K. | | 登録日 | 2015-01-16 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (0.91 Å) | | 主引用文献 | Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1).
Chembiochem, 16, 2015
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8PHK
 | | fully recruited RfaH bound to E. coli transcription complex paused at ops site | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | | 登録日 | 2023-06-20 | | 公開日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
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4XOU
 | | Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser. | | 分子名称: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | 著者 | Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I. | | 登録日 | 2015-01-16 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser.
Iucrj, 2, 2015
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6YAQ
 | | Crystal sttructure of ZmCKO8 in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea | | 分子名称: | 1,2-ETHANEDIOL, 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea, Cytokinin dehydrogenase 8, ... | | 著者 | Kopecny, D, Briozzo, P, Morera, S. | | 登録日 | 2020-03-12 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
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5MDJ
 | | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in a its as-isolated high-pressurized form | | 分子名称: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | | 著者 | Schmidt, A, Kalms, J, Scheerer, P. | | 登録日 | 2016-11-11 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6P0U
 | | Crystal structure of ternary DNA complex " FX(1-2)-2Xis" containing E. coli Fis and phage lambda Xis | | 分子名称: | DNA (27-MER), FX1-2, DNA-binding protein Fis, ... | | 著者 | Hancock, S.P, Cascio, D, Johnson, R.C. | | 登録日 | 2019-05-17 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Cooperative DNA binding by proteins through DNA shape complementarity.
Nucleic Acids Res., 47, 2019
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7AL1
 | | Cell division protein SepF from Methanobrevibacter smithii | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein SepF | | 著者 | Sogues, A, wehenkel, A.M, Alzari, P.M. | | 登録日 | 2020-10-04 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | SepF is the FtsZ anchor in archaea, with features of an ancestral cell division system.
Nat Commun, 12, 2021
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7AHM
 | | Low-resolution structure of the K+/H+ antiporter subunit KhtT in complex with c-di-AMP | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, K(+)/H(+) antiporter subunit KhtT | | 著者 | Cereija, T.B, Guerra, J.P, Morais-Cabral, J.H. | | 登録日 | 2020-09-24 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | c-di-AMP, a likely master regulator of bacterial K + homeostasis machinery, activates a K + exporter.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7PE1
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7PE2
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5VP2
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with madumycin II and bound to mRNA and A-, P- and E-site tRNAs at 2.8A resolution | | 分子名称: | 16S ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Osterman, I.A, Khabibullina, N.F, Komarova, E.S, Kasatsky, P, Kartsev, V.G, Bogdanov, A.A, Dontsova, O.A, Konevega, A.L, Sergiev, P.V, Polikanov, Y.S. | | 登録日 | 2017-05-04 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Madumycin II inhibits peptide bond formation by forcing the peptidyl transferase center into an inactive state.
Nucleic Acids Res., 45, 2017
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7PR3
 | | Cocrystal Form I of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster | | 分子名称: | Cytochrome c iso-1, HEME C, PHOSPHATE ION, ... | | 著者 | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | 登録日 | 2021-09-20 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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7ZVX
 | | Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 2.4 A resolution | | 分子名称: | 1,2-ETHANEDIOL, 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, ... | | 著者 | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | | 登録日 | 2022-05-17 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
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7ZVN
 | | Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution | | 分子名称: | 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ... | | 著者 | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | | 登録日 | 2022-05-16 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
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1AW5
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7AOT
 | | The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone | | 分子名称: | (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. | | 登録日 | 2020-10-15 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | | 主引用文献 | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
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