8CCT
| Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A | 分子名称: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2 | 著者 | Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P. | 登録日 | 2023-01-27 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A To Be Published
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6GU7
| CDK1/Cks2 in complex with AZD5438 | 分子名称: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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5I55
| Crystal Structure of the Virulent PSM-alpha3 Peptide Forming a Cross-alpha amyloid-like Fibril | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Psm alpha-3 | 著者 | Landau, M, Moshe, A, Tayeb-Fligelman, E, Sawaya, M.R, Coquelle, N, Colletier, J.-P. | 登録日 | 2016-02-14 | 公開日 | 2017-03-01 | 最終更新日 | 2022-03-30 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | The cytotoxic Staphylococcus aureus PSM alpha 3 reveals a cross-alpha amyloid-like fibril. Science, 355, 2017
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4E8Q
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5F4R
| HIV-1 gp120 complex with BNW-IV-147 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, FORMIC ACID, ... | 著者 | Liang, S, Hendrickson, W.A. | 登録日 | 2015-12-03 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. ACS Med Chem Lett, 7, 2016
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6DLU
| Cryo-EM of the GMPPCP-bound human dynamin-1 polymer assembled on the membrane in the constricted state | 分子名称: | Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | 著者 | Kong, L, Wang, H, Fang, S, Canagarajah, B, Kehr, A.D, Rice, W.J, Hinshaw, J.E. | 登録日 | 2018-06-02 | 公開日 | 2018-08-01 | 最終更新日 | 2020-01-08 | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | 主引用文献 | Cryo-EM of the dynamin polymer assembled on lipid membrane. Nature, 560, 2018
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8SVD
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6QJL
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6GP5
| Beta-1,4-galactanase from Bacteroides thetaiotaomicron | 分子名称: | Arabinogalactan endo-beta-1,4-galactanase | 著者 | Hekelaar, J, Boger, M, Leeuwen van, S.S, Lammerts van Bueren, A, Dijkhuizen, L. | 登録日 | 2018-06-05 | 公開日 | 2018-12-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides. J. Struct. Biol., 205, 2019
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8C8A
| The NMR structure of the MAX28 effector from Magnaporthe oryzae | 分子名称: | But2 domain-containing protein | 著者 | Lahfa, M, Padilla, A, de Guillen, K, Kroj, T, Roumestand, C, Barthe, P. | 登録日 | 2023-01-19 | 公開日 | 2024-02-14 | 最終更新日 | 2024-09-04 | 実験手法 | SOLUTION NMR | 主引用文献 | The structural landscape and diversity of Pyricularia oryzae MAX effectors revisited. Plos Pathog., 20, 2024
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6DDC
| Crystal structure of the single mutant (D52N) of NT5C2-537X in the basal state, Northeast Structural Genomics Consortium Target | 分子名称: | Cytosolic purine 5'-nucleotidase, MAGNESIUM ION, PHOSPHATE ION | 著者 | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2018-05-09 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6DMR
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5W7I
| X-ray structure of ankyrin repeat domain of DHHC17 in complex with Snap25b peptide | 分子名称: | Palmitoyltransferase ZDHHC17, Snap25b-111-120 | 著者 | Verardi, R, Kim, J.-S, Ghirlando, R, Banerjee, A. | 登録日 | 2017-06-20 | 公開日 | 2017-08-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.105 Å) | 主引用文献 | Structural Basis for Substrate Recognition by the Ankyrin Repeat Domain of Human DHHC17 Palmitoyltransferase. Structure, 25, 2017
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6DEB
| Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate from Campylobacter jejuni | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional protein FolD, ... | 著者 | Kim, Y, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-05-11 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate from Campylobacter jejuni To Be Published
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5W7K
| Crystal structure of OxaG | 分子名称: | CHLORIDE ION, OxaG, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | 登録日 | 2017-06-20 | 公開日 | 2018-06-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | 主引用文献 | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway. Org. Biomol. Chem., 16, 2018
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5EZZ
| CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine | 分子名称: | (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2016-05-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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5W7S
| Crystal structure of OxaC in complex with sinefungin and meleagrin | 分子名称: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, OxaC, SINEFUNGIN | 著者 | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | 登録日 | 2017-06-20 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.948 Å) | 主引用文献 | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway. Org. Biomol. Chem., 16, 2018
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6QKD
| CRYSTAL STRUCTURE OF vhh-based FAB-fragment of antibody BCD-085 | 分子名称: | CHLORIDE ION, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ... | 著者 | Kostareva, O.S, Kolyadenko, I.A, Ulitin, A.B, Ekimova, V.M, Evdokimov, S.R, Garber, M.B, Tishchenko, T.V, Gabdulkhakov, A.G. | 登録日 | 2019-01-29 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fab Fragment of VHH-Based Antibody Netakimab: Crystal Structure and Modeling Interaction with Cytokine IL-17A Crystals, 2019
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5F0E
| Murine endoplasmic reticulum alpha-glucosidase II | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | 登録日 | 2015-11-27 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals. Proc.Natl.Acad.Sci.USA, 113, 2016
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5Z3F
| Glycosidase E335A in complex with glucose | 分子名称: | CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein, ... | 著者 | Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A. | 登録日 | 2018-01-05 | 公開日 | 2019-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural insights reveal the second base catalyst of isomaltose glucohydrolase. Febs J., 289, 2022
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4Q2H
| Crystal structure of probable proline racemase from agrobacterium radiobacter K84, TARGET EFI-506561, with bound carbonate | 分子名称: | BICARBONATE ION, GLYCEROL, Proline racemase protein | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-04-08 | 公開日 | 2014-04-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of Proline Racemase Arad_0731 from Agrobacterium Radiobacter, Target Efi-506561 To be Published
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8TFI
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7PGP
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8I9L
| Structure of C3a-C3aR-Go complex (Composite map) | 分子名称: | Antibody fragment - ScFv16, C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, ... | 著者 | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | 登録日 | 2023-02-07 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | 主引用文献 | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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5SBF
| PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU | 分子名称: | CITRIC ACID, Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | 登録日 | 2021-07-23 | 公開日 | 2022-02-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
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