6NLJ
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![BU of 6nlj by Molmil](/molmil-images/mine/6nlj) | 1.65 A resolution structure of Apo BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 12) | 分子名称: | 4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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8U0N
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![BU of 8u0n by Molmil](/molmil-images/mine/8u0n) | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to 2-cyclopentylideneethyl monophosphate and ADP | 分子名称: | 2-cyclopentylideneethyl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase | 著者 | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | 登録日 | 2023-08-29 | 公開日 | 2024-02-21 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity. Proteins, 92, 2024
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8U0L
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![BU of 8u0l by Molmil](/molmil-images/mine/8u0l) | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-But-2-en-1-yl monophosphate and ADP | 分子名称: | (2E)-but-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase | 著者 | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | 登録日 | 2023-08-29 | 公開日 | 2024-02-21 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity. Proteins, 92, 2024
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8U0K
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![BU of 8u0k by Molmil](/molmil-images/mine/8u0k) | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to DMAP and ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Dimethylallyl monophosphate, Isopentenyl phosphate kinase | 著者 | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | 登録日 | 2023-08-29 | 公開日 | 2024-02-21 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity. Proteins, 92, 2024
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4YAP
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![BU of 4yap by Molmil](/molmil-images/mine/4yap) | Crystal structure of LigG-apo form from Sphingobium sp. strain SYK-6 | 分子名称: | Glutathione S-transferase homolog, SULFATE ION | 著者 | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | 登録日 | 2015-02-17 | 公開日 | 2016-03-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.111 Å) | 主引用文献 | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
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5MMP
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![BU of 5mmp by Molmil](/molmil-images/mine/5mmp) | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | 分子名称: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | 著者 | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | 登録日 | 2016-12-12 | 公開日 | 2017-04-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
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6HA1
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![BU of 6ha1 by Molmil](/molmil-images/mine/6ha1) | Cryo-EM structure of a 70S Bacillus subtilis ribosome translating the ErmD leader peptide in complex with telithromycin | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Crowe-McAuliffe, C, Graf, M, Huter, P, Abdelshahid, M, Novacek, J, Wilson, D.N. | 登録日 | 2018-08-07 | 公開日 | 2018-08-29 | 最終更新日 | 2021-01-27 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis for antibiotic resistance mediated by theBacillus subtilisABCF ATPase VmlR. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5HDX
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![BU of 5hdx by Molmil](/molmil-images/mine/5hdx) | |
8SH5
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![BU of 8sh5 by Molmil](/molmil-images/mine/8sh5) | Crystal structure of 3'cap-independent translation enhancers (CITE) from Pea enation mosaic virus RNA 2 (PEMV2) with Fab BL3-6K170A | 分子名称: | Fab BL3-6K170A heavy chain, Fab BL3-6K170A light chain, RNA (88-MER) | 著者 | Lewicka, A, Roman, C, Rice, P.A, Piccirilli, J.A. | 登録日 | 2023-04-13 | 公開日 | 2023-08-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal structure of a cap-independent translation enhancer RNA. Nucleic Acids Res., 51, 2023
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5HE4
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![BU of 5he4 by Molmil](/molmil-images/mine/5he4) | BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium | 分子名称: | (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P. | 登録日 | 2016-01-05 | 公開日 | 2016-03-16 | 最終更新日 | 2016-04-27 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
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6FQ3
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![BU of 6fq3 by Molmil](/molmil-images/mine/6fq3) | Crystal structure of Danio rerio Lin41 filamin-NHL domains in complex with lin-29A 5'UTR 13mer RNA | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase TRIM71, RNA (5'-R(*GP*GP*AP*GP*UP*CP*CP*AP*AP*CP*UP*CP*C)-3') | 著者 | Kumari, P, Aeschimann, F, Gaidatzis, D, Keusch, J.J, Ghosh, P, Neagu, A, Pachulska-Wieczorek, K, Bujnicki, J.M, Gut, H, Grosshans, H, Ciosk, R. | 登録日 | 2018-02-13 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Evolutionary plasticity of the NHL domain underlies distinct solutions to RNA recognition. Nat Commun, 9, 2018
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468D
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![BU of 468d by Molmil](/molmil-images/mine/468d) | CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA | 分子名称: | MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3') | 著者 | Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M. | 登録日 | 1999-04-29 | 公開日 | 1999-05-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA. Nat.Struct.Biol., 6, 1999
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7OK5
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![BU of 7ok5 by Molmil](/molmil-images/mine/7ok5) | Crystal structure of mouse neurofascin 155 immunoglobulin domains | 分子名称: | Neurofascin 155, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Chataigner, L.M.P, Janssen, B.J.C. | 登録日 | 2021-05-17 | 公開日 | 2022-12-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | Structural insights into the contactin 1 - neurofascin 155 adhesion complex. Nat Commun, 13, 2022
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7OQZ
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![BU of 7oqz by Molmil](/molmil-images/mine/7oqz) | Cryo-EM structure of human TMEM45A | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Transmembrane protein 45A | 著者 | Grieben, M, Pike, A.C.W, Evans, A, Shrestha, L, Venkaya, S, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Carpenter, E.P. | 登録日 | 2021-06-04 | 公開日 | 2021-06-16 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | CryoEM structure of human TMEM45A To Be Published
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8AS2
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![BU of 8as2 by Molmil](/molmil-images/mine/8as2) | Structure of arrestin2 in complex with 4P CCR5 phosphopeptide and Fab30 | 分子名称: | Beta-arrestin-1, C-C chemokine receptor type 5, Fab30 heavy chain, ... | 著者 | Isaikina, P, Jakob, R.P, Maier, T, Grzesiek, S. | 登録日 | 2022-08-18 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes. Mol.Cell, 83, 2023
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6TNS
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![BU of 6tns by Molmil](/molmil-images/mine/6tns) | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | 分子名称: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | 登録日 | 2019-12-10 | 公開日 | 2020-01-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target. J.Med.Chem., 63, 2020
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7TU0
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![BU of 7tu0 by Molmil](/molmil-images/mine/7tu0) | Structure of the L. blandensis dGTPase bound to Mn | 分子名称: | MANGANESE (II) ION, SULFATE ION, dGTP triphosphohydrolase | 著者 | Sikkema, A.P, Klemm, B.P, Horng, J.C, Hall, T.M.T. | 登録日 | 2022-02-02 | 公開日 | 2022-06-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP. J.Biol.Chem., 298, 2022
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7TU2
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![BU of 7tu2 by Molmil](/molmil-images/mine/7tu2) | Structure of the L. blandensis dGTPase R37A mutant bound to Mn | 分子名称: | MANGANESE (II) ION, SULFATE ION, dGTP triphosphohydrolase | 著者 | Sikkema, A.P, Klemm, B.P, Horng, J.C, Hall, T.M.T. | 登録日 | 2022-02-02 | 公開日 | 2022-06-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP. J.Biol.Chem., 298, 2022
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4YQI
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![BU of 4yqi by Molmil](/molmil-images/mine/4yqi) | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | 分子名称: | (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | 登録日 | 2015-03-13 | 公開日 | 2016-03-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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8E0U
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![BU of 8e0u by Molmil](/molmil-images/mine/8e0u) | |
8DT3
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![BU of 8dt3 by Molmil](/molmil-images/mine/8dt3) | Cryo-EM structure of spike binding to Fab of neutralizing antibody (locally refined) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of SW186, Light chain Fab of SW186, ... | 著者 | Sun, P.C, Fang, Y, Bai, X.C, Chen, Z.J. | 登録日 | 2022-07-25 | 公開日 | 2022-08-03 | 最終更新日 | 2022-11-09 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | An antibody that neutralizes SARS-CoV-1 and SARS-CoV-2 by binding to a conserved spike epitope outside the receptor binding motif. Sci Immunol, 7, 2022
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7R2V
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![BU of 7r2v by Molmil](/molmil-images/mine/7r2v) | Structure of nsp14 from SARS-CoV-2 in complex with SAH | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Proofreading exoribonuclease nsp14, ... | 著者 | Czarna, A, Plewka, J, Kresik, L, Matsuda, A, Abdulkarim, K, Robinson, C, OByrne, S, Cunningham, F, Georgiou, I, Pachota, M, Popowicz, G.M, Wyatt, P.G, Dubin, G, Pyrc, K. | 登録日 | 2022-02-06 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity. Structure, 30, 2022
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6G2J
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![BU of 6g2j by Molmil](/molmil-images/mine/6g2j) | Mouse mitochondrial complex I in the active state | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J. | 登録日 | 2018-03-23 | 公開日 | 2018-06-06 | 最終更新日 | 2021-06-02 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states. Nat. Struct. Mol. Biol., 25, 2018
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6FO6
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![BU of 6fo6 by Molmil](/molmil-images/mine/6fo6) | CryoEM structure of bovine cytochrome bc1 in complex with the anti-malarial inhibitor SCR0911 | 分子名称: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol, Cytochrome b, Cytochrome b-c1 complex subunit 1, ... | 著者 | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | 登録日 | 2018-02-06 | 公開日 | 2018-02-28 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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8AVT
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![BU of 8avt by Molmil](/molmil-images/mine/8avt) | Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of glycerol 3-phosphate | 分子名称: | 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ... | 著者 | Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P. | 登録日 | 2022-08-26 | 公開日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography. Commun Chem, 6, 2023
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