4W5M
 
 | | Prp peptide | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, PrP peptide | | 著者 | Yu, L, Lee, S.-J, Yee, V. | | 登録日 | 2014-08-18 | | 公開日 | 2015-05-27 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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8Q29
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4W5Y
 | | Crystal structure of Prp pepttide | | 分子名称: | Prp peptide | | 著者 | Yu, L, Lee, S.-J, Yee, V. | | 登録日 | 2014-08-19 | | 公開日 | 2015-05-27 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.122 Å) | | 主引用文献 | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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6NEL
 | | 4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to influenza 2009 pH1N1 endonuclease | | 分子名称: | 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid, MAGNESIUM ION, MANGANESE (II) ION, ... | | 著者 | Bauman, J.D, Arnold, E. | | 登録日 | 2018-12-17 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
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7OC8
 | | Trichoderma reesei Cel7A E212Q mutant in complex with pNPL | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | 著者 | Haataja, T, Sandgren, M, Stahlberg, J. | | 登録日 | 2021-04-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
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7OFL
 | | Crystal structure of the sesquiterpene synthase Copu9 from coniophora puteana in complex with alendronate | | 分子名称: | 1,2-ETHANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ... | | 著者 | Dimos, N, Loll, B. | | 登録日 | 2021-05-05 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Biotechnological potential and initial characterization of two novel sesquiterpene synthases from Basidiomycota Coniophora puteana for heterologous production of delta-cadinol.
Microb Cell Fact, 21, 2022
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7NYT
 | | Trichoderma reesei Cel7A E212Q mutant in complex with lactose. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | | 著者 | Haataja, T, Sandgren, M, Stahlberg, J. | | 登録日 | 2021-03-23 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
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8QAB
 | | X-ray crystal structure of a de novo designed antiparallel coiled-coil hexameric alpha-helical barrel with 4 heptad repeats, apCCHex | | 分子名称: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane, apCCHex | | 著者 | Naudin, E.N, Albanese, K.I, Petrenas, R, Woolfson, D.N. | | 登録日 | 2023-08-22 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
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7CSK
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8GII
 | | TEM-1 Beta Lactamase Variant 80.a | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TEM-1 Variant 80.a | | 著者 | Fram, B.F, Gauthier, N.P, Khan, A.R, Sander, C. | | 登録日 | 2023-03-14 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Simultaneous enhancement of multiple functional properties using evolution-informed protein design.
Nat Commun, 15, 2024
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8GIJ
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6VDU
 | | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate Trichlorophenol | | 分子名称: | 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | | 登録日 | 2019-12-27 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
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4WA4
 | | The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with oseltamivir carboxylate | | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase, ... | | 著者 | Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J. | | 登録日 | 2014-08-28 | | 公開日 | 2015-01-14 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
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8EDY
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6VB4
 | | HLA-B*15:02 complexed with a synthetic peptide | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... | | 著者 | Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A. | | 登録日 | 2019-12-18 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.334 Å) | | 主引用文献 | HLA-B*15:02 complexed with a synthetic peptide
To Be Published
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6VDX
 | | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Manganese(III)- Porphyrin and Substrate Trichlorophenol | | 分子名称: | 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | | 登録日 | 2019-12-27 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
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6VH1
 | | 2.30 A resolution structure of MERS 3CL protease in complex with inhibitor 6h | | 分子名称: | N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein | | 著者 | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-01-09 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
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6NCL
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7Z3W
 | | Crystal structure of the AAL160 Fab | | 分子名称: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AAL160 Fab heavy-chain, AAL160 Fab light-chain | | 著者 | Rondeau, J.M, Lehmann, S. | | 登録日 | 2022-03-02 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
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8V36
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6NPV
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8V35
 | | Crystal structure of HpsN from Cupriavidus pinatubonensis | | 分子名称: | 1,2-ETHANEDIOL, Sulfopropanediol 3-dehydrogenase, ZINC ION | | 著者 | Lee, M. | | 登録日 | 2023-11-27 | | 公開日 | 2024-09-25 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Chem Sci, 15, 2024
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4W5L
 | | Crystal structure of a prp peptide | | 分子名称: | PrP peptide | | 著者 | Yu, L, Lee, S.-J, Yee, V. | | 登録日 | 2014-08-18 | | 公開日 | 2015-05-27 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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8CPJ
 | | Crystal structure of PPAR gamma (PPARG) in an inactive form | | 分子名称: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-03-02 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
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6NJJ
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 | | 分子名称: | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Fox III, D, Fairman, J.W, Gurney, M.E. | | 登録日 | 2019-01-03 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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