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
 | | 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
 | | 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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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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