8IFQ
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![BU of 8ifq by Molmil](/molmil-images/mine/8ifq) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFP
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![BU of 8ifp by Molmil](/molmil-images/mine/8ifp) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1 | 分子名称: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFS
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![BU of 8ifs by Molmil](/molmil-images/mine/8ifs) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7 | 分子名称: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8CIX
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![BU of 8cix by Molmil](/molmil-images/mine/8cix) | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin. | 分子名称: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | 著者 | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | 登録日 | 2023-02-11 | 公開日 | 2023-11-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins. Nat Commun, 15, 2024
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8IFT
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![BU of 8ift by Molmil](/molmil-images/mine/8ift) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10 | 分子名称: | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFR
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![BU of 8ifr by Molmil](/molmil-images/mine/8ifr) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3 | 分子名称: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IGX
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![BU of 8igx by Molmil](/molmil-images/mine/8igx) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 9 (simnotrelvir, SIM0417, SSD8432) | 分子名称: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-21 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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5I89
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![BU of 5i89 by Molmil](/molmil-images/mine/5i89) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 | 分子名称: | (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ... | 著者 | Setser, J.W, Poy, F, Bellon, S.F. | 登録日 | 2016-02-18 | 公開日 | 2016-04-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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8IGY
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![BU of 8igy by Molmil](/molmil-images/mine/8igy) | SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-21 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8CLB
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![BU of 8clb by Molmil](/molmil-images/mine/8clb) | Colchicine bound to tubulin (T2R-TTL) complex | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CLH
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![BU of 8clh by Molmil](/molmil-images/mine/8clh) | Drug cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) bound to tubulin (T2R-TTL) complex | 分子名称: | (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, ... | 著者 | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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8CLG
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![BU of 8clg by Molmil](/molmil-images/mine/8clg) | Epothilone A and Colchicine bound to tubulin (T2R-TTL) complex | 分子名称: | CALCIUM ION, EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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4GKJ
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![BU of 4gkj by Molmil](/molmil-images/mine/4gkj) | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human mitochondrial anticodon stem loop (ASL) of transfer RNA Methionine (TRNAMET) bound to an mRNA with an AUG-codon in the A-site and paromomycin. | 分子名称: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | 著者 | Cantara, W.A, Murphy IV, F.V, Spears, J.L, Demirci, H, Agris, P.F. | 登録日 | 2012-08-11 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.298 Å) | 主引用文献 | Expanded use of sense codons is regulated by modified cytidines in tRNA. Proc.Natl.Acad.Sci.USA, 110, 2013
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5I4Q
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![BU of 5i4q by Molmil](/molmil-images/mine/5i4q) | Contact-dependent inhibition system from Escherichia coli NC101 - ternary CdiA/CdiI/EF-Tu complex (domains 2 and 3) | 分子名称: | CHLORIDE ION, Contact-dependent inhibitor A, Contact-dependent inhibitor I, ... | 著者 | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | 登録日 | 2016-02-12 | 公開日 | 2017-06-28 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure of a novel antibacterial toxin that exploits elongation factor Tu to cleave specific transfer RNAs. Nucleic Acids Res., 45, 2017
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2UBP
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![BU of 2ubp by Molmil](/molmil-images/mine/2ubp) | STRUCTURE OF NATIVE UREASE FROM BACILLUS PASTEURII | 分子名称: | NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), PROTEIN (UREASE BETA SUBUNIT), ... | 著者 | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | 登録日 | 1998-11-04 | 公開日 | 1999-11-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels. Structure Fold.Des., 7, 1999
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4GKK
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![BU of 4gkk by Molmil](/molmil-images/mine/4gkk) | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human mitochondrial anticodon stem loop (ASL) of transfer RNA Methionine (TRNAMET) bound to an mRNA with an AUA-codon in the A-site and paromomycin | 分子名称: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | 著者 | Cantara, W.A, Murphy IV, F.V, Spears, J.L, Demirci, H, Agris, P.F. | 登録日 | 2012-08-11 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Expanded use of sense codons is regulated by modified cytidines in tRNA. Proc.Natl.Acad.Sci.USA, 110, 2013
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4PKL
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![BU of 4pkl by Molmil](/molmil-images/mine/4pkl) | Bromodomain of Trypanosoma brucei BDF2 With IBET-151 | 分子名称: | 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, Bromodomain factor 2, CHLORIDE ION, ... | 著者 | Debler, E.W. | 登録日 | 2014-05-15 | 公開日 | 2015-11-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | 主引用文献 | Bromodomain Proteins Contribute to Maintenance of Bloodstream Form Stage Identity in the African Trypanosome. Plos Biol., 13, 2015
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4V0R
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![BU of 4v0r by Molmil](/molmil-images/mine/4v0r) | DENGUE VIRUS FULL LENGTH NS5 COMPLEXED WITH GTP AND SAH | 分子名称: | FORMIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D. | 登録日 | 2014-09-18 | 公開日 | 2015-01-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication. Plos Pathog., 11, 2015
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4GNJ
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![BU of 4gnj by Molmil](/molmil-images/mine/4gnj) | Crystal Structure Analysis of Leishmania siamensis Triosephosphate Isomerase | 分子名称: | ARSENIC, SODIUM ION, Triosephosphate isomerase | 著者 | Kuaprasert, B, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Mungthin, M, Leelayoova, S, Leartsakulpanich, U. | 登録日 | 2012-08-17 | 公開日 | 2013-09-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Crystal Structure Analysis of Leishmania siamensis Triosephosphate Isomerase To be Published
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8IPL
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![BU of 8ipl by Molmil](/molmil-images/mine/8ipl) | |
2GC2
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![BU of 2gc2 by Molmil](/molmil-images/mine/2gc2) | |
3W28
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![BU of 3w28 by Molmil](/molmil-images/mine/3w28) | The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E251A mutant with xylotriose | 分子名称: | Glycoside hydrolase family 10, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | 著者 | Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T. | 登録日 | 2012-11-27 | 公開日 | 2013-04-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485 Proteins, 81, 2013
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2SIM
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![BU of 2sim by Molmil](/molmil-images/mine/2sim) | THE STRUCTURES OF SALMONELLA TYPHIMURIUM LT2 NEURAMINIDASE AND ITS COMPLEX WITH A TRANSITION STATE ANALOGUE AT 1.6 ANGSTROMS RESOLUTION | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SIALIDASE | 著者 | Taylor, G.L, Crennell, S.J, Garman, E.F, Vimr, E.R, Laver, W.G. | 登録日 | 1994-07-15 | 公開日 | 1994-11-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution. J.Mol.Biol., 259, 1996
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5I2G
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![BU of 5i2g by Molmil](/molmil-images/mine/5i2g) | 1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity | 分子名称: | Diol dehydratase, S-1,2-PROPANEDIOL | 著者 | LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N. | 登録日 | 2016-02-08 | 公開日 | 2016-06-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | 1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY. J.Biol.Chem., 291, 2016
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4V4N
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![BU of 4v4n by Molmil](/molmil-images/mine/4v4n) | Structure of the Methanococcus jannaschii ribosome-SecYEBeta channel complex | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein L7AE, ... | 著者 | Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W. | 登録日 | 2013-06-17 | 公開日 | 2014-07-09 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (9 Å) | 主引用文献 | Structure of the SecY channel during initiation of protein translocation. Nature, 506, 2013
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