6P4D
 
 | | Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R | | 分子名称: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | 著者 | Langley, D.B, Christ, D. | | 登録日 | 2019-05-27 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6MPN
 | | Racemic M2-TM I42E crystallized from racemic detergent | | 分子名称: | Matrix protein 2, octyl beta-D-glucopyranoside | | 著者 | Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H. | | 登録日 | 2018-10-07 | | 公開日 | 2019-01-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
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8C29
 | | Cryo-EM structure of photosystem II C2S2 supercomplex from Norway spruce (Picea abies) at 2.8 Angstrom resolution | | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | 著者 | Kopecny, D, Semchonok, D.A, Kouril, R. | | 登録日 | 2022-12-21 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (2.785 Å) | | 主引用文献 | Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol.
Nat.Plants, 9, 2023
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6N00
 | | Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose | | 分子名称: | CALCIUM ION, Fluoroacetate dehalogenase | | 著者 | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | 登録日 | 2018-11-06 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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7SOC
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7N04
 | | Crystal structure of the apo F240 antibody fragment | | 分子名称: | Fab F240 heavy chain, Fab F240 light chain, alpha-D-glucopyranose | | 著者 | Cook, J.D, Lee, J.E. | | 登録日 | 2021-05-25 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.70000517 Å) | | 主引用文献 | Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
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7N08
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8T8S
 | | Sortilin-PGRN peptide complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Paragranulin peptide, ... | | 著者 | Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G. | | 登録日 | 2023-06-23 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Structural studies of Sortilin-PGRN peptide complex
To Be Published
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8T8R
 | | Sortilin-PGRN peptide complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Paragranulin peptide, Sortilin, ... | | 著者 | Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G. | | 登録日 | 2023-06-23 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Structural studies of Sortilin-PGRN peptide complex
To Be Published
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8EQI
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6YB7
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | | 分子名称: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | | 著者 | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | 登録日 | 2020-03-16 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | COVID-19 main protease with unliganded active site
To Be Published
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7N29
 | | Structure of NAD kinase | | 分子名称: | NAD kinase 2, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Du, J, Estrella, M.A, Jeffrey, P.D, Korennykh, A.V. | | 登録日 | 2021-05-28 | | 公開日 | 2022-05-04 | | 最終更新日 | 2022-06-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of human NADK2 reveals atypical assembly and regulation of NAD kinases from animal mitochondria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7N4S
 | | Bruton's tyrosine kinase in complex with compound 65 | | 分子名称: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4R
 | | Bruton's tyrosine kinase in complex with compound 21 | | 分子名称: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4Q
 | | Bruton's tyrosine kinase in complex with compound 45 | | 分子名称: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7AUX
 | | Crystal structure of OXA-48 beta-lactamase in the complex with the inhbitor ID2 | | 分子名称: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Beta-lactamase, CHLORIDE ION | | 著者 | Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R. | | 登録日 | 2020-11-03 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening.
Pharmaceuticals, 14, 2021
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7AW5
 | | Crystal structure of OXA-48 beta-lactamase in the complex with the inhibitor ID3 | | 分子名称: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, Beta-lactamase, CHLORIDE ION | | 著者 | Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R. | | 登録日 | 2020-11-06 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening.
Pharmaceuticals, 14, 2021
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6MXZ
 | | Structure of 53BP1 Tudor domains in complex with small molecule UNC3474 | | 分子名称: | FORMIC ACID, N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide, TP53-binding protein 1 | | 著者 | Cui, G, Botuyan, M.V, Schuller, D.J, Mer, G. | | 登録日 | 2018-10-31 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering.
Nat Commun, 14, 2023
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8SFJ
 | | WT CRISPR-Cas12a with a 10bp R-loop | | 分子名称: | CRISPR-associated endonuclease Cas12a, DNA (5'-D(P*CP*AP*CP*TP*TP*AP*TP*CP*AP*CP*TP*AP*AP*AP*AP*GP*AP*TP*CP*GP*GP*AP*AP*G)-3'), DNA (5'-D(P*CP*TP*TP*CP*CP*GP*AP*TP*CP*TP*TP*TP*TP*AP*GP*TP*GP*AP*T)-3'), ... | | 著者 | Strohkendl, I, Taylor, D.W. | | 登録日 | 2023-04-11 | | 公開日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | WT CRISPR-Cas12a with a 10bp R-loop
To Be Published
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8SFH
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8SFL
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6N03
 | | CO-bound Sperm Whale Myoglobin, room temperature structure, last 2 degrees of 5 degree total oscillation and 160 kGy dose | | 分子名称: | CARBON MONOXIDE, Myoglobin, CO-bound, ... | | 著者 | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | 登録日 | 2018-11-06 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6N8W
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6N9G
 | | Crystal Structure of RGS7-Gbeta5 dimer | | 分子名称: | Guanine nucleotide-binding protein subunit beta-5, Regulator of G-protein signaling 7 | | 著者 | Patil, D.N, Rangarajan, E, Izard, T, Martemyanov, K.A. | | 登録日 | 2018-12-03 | | 公開日 | 2019-01-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.129 Å) | | 主引用文献 | Structural organization of a major neuronal G protein regulator, the RGS7-G beta 5-R7BP complex.
Elife, 7, 2018
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8F54
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