5I1N
| Villin headpiece subdomain with a Gln26 to beta-3-homoglutamine substitution | 分子名称: | D-Villin headpiece subdomain, Villin-1 | 著者 | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | 登録日 | 2016-02-05 | 公開日 | 2016-05-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization. J.Am.Chem.Soc., 138, 2016
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6QB4
| Mcl1-scFv complex with an indole acid inhibitor | 分子名称: | 3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | 著者 | Hargreaves, D. | 登録日 | 2018-12-20 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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7OK0
| Cryo-EM structure of the Sulfolobus acidocaldarius RNA polymerase at 2.88 A | 分子名称: | Conserved protein, DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit A'', ... | 著者 | Pilotto, S, Fouqueau, T, Lukoyanova, N, Sheppard, C, Lucas-Staat, S, Diaz-Santin, L.M, Matelska, D, Prangishvili, D, Cheung, A.C.M, Werner, F. | 登録日 | 2021-05-17 | 公開日 | 2021-08-25 | 最終更新日 | 2021-10-13 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis of RNA polymerase inhibition by viral and host factors. Nat Commun, 12, 2021
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6QB9
| Structure of an anti-Mcl1 scFv | 分子名称: | L(+)-TARTARIC ACID, scFv55 | 著者 | Hargreaves, D. | 登録日 | 2018-12-20 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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6W7C
| K2P2.1 (TREK-1), 1 mM K+ | 分子名称: | CADMIUM ION, DECANE, DODECANE, ... | 著者 | Lolicato, M, Minor, D.L. | 登録日 | 2020-03-19 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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7A2D
| Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site | 分子名称: | Uncharacterized protein YraP | 著者 | Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R. | 登録日 | 2020-08-17 | 公開日 | 2020-12-30 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation. Elife, 9, 2020
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8F7K
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6NXF
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7TAT
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6NXL
| Ubiquitin binding variants | 分子名称: | Polyubiquitin-B | 著者 | Miller, D.J, Watson, E.R. | 登録日 | 2019-02-08 | 公開日 | 2020-01-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | 主引用文献 | Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site. Proc.Natl.Acad.Sci.USA, 116, 2019
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6Q48
| CDK2 in complex with FragLite7 | 分子名称: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4H
| CDK2 in complex with FragLite36 | 分子名称: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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7NW2
| Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47 | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium | 登録日 | 2021-03-16 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor. Cell Chem Biol, 28, 2021
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7NWO
| A carbohydrate binding module family 9 (CBM9) from Caldicellulosiruptor kristjanssonii in complex with glucose | 分子名称: | 1,2-ETHANEDIOL, Beta-xylanase, CALCIUM ION, ... | 著者 | Krska, D, Mazurkewich, S, Navarro Poulsen, J, Larsbrink, J, Lo Leggio, L. | 登録日 | 2021-03-17 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii . Biochemistry, 60, 2021
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5LR5
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7P36
| X-ray structure of Lactobacillus kefir alcohol dehydrogenase (wild type) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D. | 登録日 | 2021-07-07 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases Crystals, 11, 2021
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8UQV
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6W7B
| K2P2.1 (TREK-1), 0 mM K+ | 分子名称: | CADMIUM ION, DECANE, DODECANE, ... | 著者 | Lolicato, M, Minor, D.L. | 登録日 | 2020-03-19 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.88 Å) | 主引用文献 | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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8FZY
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7P7Y
| X-ray structure of Lactobacillus kefir alcohol dehydrogenase mutant Q126K | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D. | 登録日 | 2021-07-21 | 公開日 | 2021-07-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases Crystals, 11, 2021
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8OPM
| Human Coronavirus HKU1 spike glycoprotein in complex with an alpha2,8-linked 9-O-acetylated disialoside (closed state) | 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, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-8)-N-acetyl-alpha-neuraminic acid, ... | 著者 | Pronker, M.F, Creutznacher, R, Hurdiss, D.L. | 登録日 | 2023-04-07 | 公開日 | 2023-08-02 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Sialoglycan binding triggers spike opening in a human coronavirus. Nature, 624, 2023
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8OW0
| Cryo-EM structure of CBF1-CCAN bound topologically to a centromeric CENP-A nucleosome | 分子名称: | C0N3 DNA, Centromere-binding protein 1, Histone H2A.1, ... | 著者 | Dendooven, T.D, Zhang, Z, Yang, J, McLaughlin, S, Schwabb, J, Scheres, S, Yatskevich, S, Barford, D. | 登録日 | 2023-04-26 | 公開日 | 2023-08-09 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Cryo-EM structure of the complete inner kinetochore of the budding yeast point centromere. Sci Adv, 9, 2023
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8FZZ
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8FWY
| Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to the dead-end complex xanthine and pyrophosphate | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, XANTHINE | 著者 | Hughes, R, Meneely, K.M, Glockzin, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | 登録日 | 2023-01-23 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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7BK3
| Crystal structure of CHK1-10pt-mutant complex with compound 45 | 分子名称: | 4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-15 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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