7GA5
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![BU of 7ga5 by Molmil](/molmil-images/mine/7ga5) | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z119989094 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(piperazin-1-yl)-1,3-benzothiazole, ... | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-07-03 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.843 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GA7
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![BU of 7ga7 by Molmil](/molmil-images/mine/7ga7) | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z85933875 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine, ... | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-07-03 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7G9L
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![BU of 7g9l by Molmil](/molmil-images/mine/7g9l) | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z111782404 | 分子名称: | (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ... | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-07-03 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.541 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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4G76
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![BU of 4g76 by Molmil](/molmil-images/mine/4g76) | |
8BWU
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![BU of 8bwu by Molmil](/molmil-images/mine/8bwu) | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | 著者 | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | 登録日 | 2022-12-07 | 公開日 | 2023-10-11 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes Digit Discov, 2024
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7KVW
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![BU of 7kvw by Molmil](/molmil-images/mine/7kvw) | Non-ribosomal didomain (holo-PCP-C) acceptor bound state | 分子名称: | 4'-PHOSPHOPANTETHEINE, PCP-C didomain | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | 登録日 | 2020-11-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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7KW2
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![BU of 7kw2 by Molmil](/molmil-images/mine/7kw2) | Non-ribosomal didomain (holo-PCP-C) acceptor bound state, R2577G | 分子名称: | 4'-PHOSPHOPANTETHEINE, PCP-C didomain | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | 登録日 | 2020-11-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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7KW0
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![BU of 7kw0 by Molmil](/molmil-images/mine/7kw0) | Non-ribosomal didomain (stabilised glycine-PCP-C) acceptor bound state | 分子名称: | N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, PCP-C didomain | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | 登録日 | 2020-11-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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7L15
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![BU of 7l15 by Molmil](/molmil-images/mine/7l15) | Marsupial T cell receptor Spl_118 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, ... | 著者 | Wegrecki, M, Kannan Sivaraman, K, Praveena, T, Le Nours, J, Rossjohn, J. | 登録日 | 2020-12-14 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage. Science, 371, 2021
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7ZPK
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![BU of 7zpk by Molmil](/molmil-images/mine/7zpk) | Mammalian Dicer in the "pre-dicing state" with pre-miR-15a substrate and TARBP2 subunit | 分子名称: | 59-nt precursor of miR-15a, Endoribonuclease Dicer, RISC-loading complex subunit TARBP2 | 著者 | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | 登録日 | 2022-04-27 | 公開日 | 2022-11-16 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.81 Å) | 主引用文献 | Structural and functional basis of mammalian microRNA biogenesis by Dicer. Mol.Cell, 82, 2022
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7KYW
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![BU of 7kyw by Molmil](/molmil-images/mine/7kyw) | Crystal structure of timothy grass allergen Phl p 12.0101 reveals an unusual profilin dimer | 分子名称: | CITRIC ACID, Profilin-1 | 著者 | O'Malley, A, Kapingidza, A.B, Hyduke, N, Dolamore, C, Chruszcz, M. | 登録日 | 2020-12-09 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of timothy grass allergen Phl p 12.0101 reveals an unusual profilin dimer. Acta Biochim.Pol., 68, 2021
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3ZLQ
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![BU of 3zlq by Molmil](/molmil-images/mine/3zlq) | BACE2 XAPERONE COMPLEX | 分子名称: | 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, BETA-SECRETASE 2, XA4813 | 著者 | Kuglstatter, A, Stihle, M. | 登録日 | 2013-02-04 | 公開日 | 2013-05-01 | 最終更新日 | 2013-06-05 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease. J.Med.Chem., 56, 2013
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4ZDN
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![BU of 4zdn by Molmil](/molmil-images/mine/4zdn) | Streptomyces platensis isomigrastatin ketosynthase domain MgsF KS4 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AT-less polyketide synthase, CHLORIDE ION | 著者 | Chang, C, Li, H, Endres, M, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | 登録日 | 2015-04-17 | 公開日 | 2015-05-13 | 最終更新日 | 2023-03-22 | 実験手法 | X-RAY DIFFRACTION (2.509 Å) | 主引用文献 | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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7ZPI
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![BU of 7zpi by Molmil](/molmil-images/mine/7zpi) | Mammalian Dicer in the "dicing state" with pre-miR-15a substrate | 分子名称: | 59-nt precursor of miR-15a, Endoribonuclease Dicer | 著者 | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | 登録日 | 2022-04-27 | 公開日 | 2022-11-16 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (5.91 Å) | 主引用文献 | Structural and functional basis of mammalian microRNA biogenesis by Dicer. Mol.Cell, 82, 2022
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7L57
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![BU of 7l57 by Molmil](/molmil-images/mine/7l57) | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-15 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Rapp, M, Shapiro, L. | 登録日 | 2020-12-21 | 公開日 | 2021-04-14 | 最終更新日 | 2021-04-21 | 実験手法 | ELECTRON MICROSCOPY (5.87 Å) | 主引用文献 | Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class. Cell Rep, 35, 2021
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7L56
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![BU of 7l56 by Molmil](/molmil-images/mine/7l56) | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-43 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 2-43 variable domain heavy chain, ... | 著者 | Rapp, M, Shapiro, L. | 登録日 | 2020-12-21 | 公開日 | 2021-04-14 | 最終更新日 | 2023-04-05 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class. Cell Rep, 35, 2021
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7KWD
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![BU of 7kwd by Molmil](/molmil-images/mine/7kwd) | Crystal structure of Thermus thermophilus alkaline phosphatase | 分子名称: | Alkaline phosphatase, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | 著者 | Gallo, G, Coelho, C, Borges, B, Negri, N, Maiello, F, Hardy, L, Wurtele, M. | 登録日 | 2020-11-30 | 公開日 | 2021-04-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Dynamic cross correlation analysis of Thermus thermophilus alkaline phosphatase and determinants of thermostability. Biochim Biophys Acta Gen Subj, 1865, 2021
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7L58
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![BU of 7l58 by Molmil](/molmil-images/mine/7l58) | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab H4 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab H4 variable domain heavy chain, ... | 著者 | Rapp, M, Shapiro, L. | 登録日 | 2020-12-21 | 公開日 | 2021-04-14 | 最終更新日 | 2021-04-21 | 実験手法 | ELECTRON MICROSCOPY (5.07 Å) | 主引用文献 | Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class. Cell Rep, 35, 2021
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4ZDJ
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![BU of 4zdj by Molmil](/molmil-images/mine/4zdj) | Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP molecules | 分子名称: | CTP synthase, GLYCEROL, MAGNESIUM ION, ... | 著者 | Bellinzoni, M, Barilone, N, Alzari, P.M. | 登録日 | 2015-04-17 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG. Chem.Biol., 22, 2015
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7KIF
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![BU of 7kif by Molmil](/molmil-images/mine/7kif) | Mycobacterium tuberculosis WT RNAP transcription open promoter complex with WhiB7 transcription factor | 分子名称: | DNA (55-MER), DNA (63-MER), DNA-directed RNA polymerase subunit alpha, ... | 著者 | Lilic, M, Darst, S.A, Campbell, E.A. | 登録日 | 2020-10-23 | 公開日 | 2021-04-21 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | Structural basis of transcriptional activation by the Mycobacterium tuberculosis intrinsic antibiotic-resistance transcription factor WhiB7. Mol.Cell, 81, 2021
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3ZST
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![BU of 3zst by Molmil](/molmil-images/mine/3zst) | GlgE isoform 1 from Streptomyces coelicolor with alpha-cyclodextrin bound | 分子名称: | 1,2-ETHANEDIOL, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A GLGE ISOFORM 1 | 著者 | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | 登録日 | 2011-06-30 | 公開日 | 2011-09-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target. J.Biol.Chem., 286, 2011
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7KIM
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![BU of 7kim by Molmil](/molmil-images/mine/7kim) | Mycobacterium tuberculosis WT RNAP transcription closed promoter complex with WhiB7 transcription factor | 分子名称: | DNA (45-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | 著者 | Lilic, M, Darst, S.A, Campbell, E.A. | 登録日 | 2020-10-23 | 公開日 | 2021-04-21 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | 主引用文献 | Structural basis of transcriptional activation by the Mycobacterium tuberculosis intrinsic antibiotic-resistance transcription factor WhiB7. Mol.Cell, 81, 2021
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3GG6
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![BU of 3gg6 by Molmil](/molmil-images/mine/3gg6) | Crystal structure of the NUDIX domain of human NUDT18 | 分子名称: | Nucleoside diphosphate-linked moiety X motif 18 | 著者 | Tresaugues, L, Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2009-02-27 | 公開日 | 2009-03-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of the NUDIX domain of human NUDT18 To be Published
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7KIN
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![BU of 7kin by Molmil](/molmil-images/mine/7kin) | Mycobacterium tuberculosis WT RNAP transcription open promoter complex with WhiB7 promoter | 分子名称: | DNA (49-MER), DNA (54-MER), DNA-directed RNA polymerase subunit alpha, ... | 著者 | Lilic, M, Darst, S.A, Campbell, E.A. | 登録日 | 2020-10-23 | 公開日 | 2021-04-21 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | 主引用文献 | Structural basis of transcriptional activation by the Mycobacterium tuberculosis intrinsic antibiotic-resistance transcription factor WhiB7. Mol.Cell, 81, 2021
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7KP1
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![BU of 7kp1 by Molmil](/molmil-images/mine/7kp1) | CD1a-42:2 SM binary complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, T-cell surface glycoprotein CD1a, ... | 著者 | Wegrecki, M, Le Nours, J, Rossjohn, J. | 登録日 | 2020-11-10 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | CD1a selectively captures endogenous cellular lipids that broadly block T cell response. J.Exp.Med., 218, 2021
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