7T96
 
 | | Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM | | 分子名称: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | | 登録日 | 2021-12-18 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
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6O6O
 | | Structure of the regulator FasR from Mycobacterium tuberculosis | | 分子名称: | MYRISTIC ACID, TetR family transcriptional regulator | | 著者 | Larrieux, N, Trajtenberg, F, Lara, J, Gramajo, H, Buschiazzo, A. | | 登録日 | 2019-03-07 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel and a hydrophobic transmission spine.
Nat Commun, 11, 2020
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5T5J
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7T94
 | | Cryo-EM structure of S1 state ACh-bound M2R-Go signaling complex with a PAM | | 分子名称: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Antibody fragment, ... | | 著者 | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | | 登録日 | 2021-12-17 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | | 主引用文献 | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
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5T5P
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6O54
 | | Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 (D25N) | | 分子名称: | CHLORIDE ION, HIV-1 protease | | 著者 | Wang, Y.-F, Brothers, R, Agniswamy, J, Weber, I.T. | | 登録日 | 2019-03-01 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Acs Omega, 4, 2019
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3VQB
 | | HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid | | 分子名称: | 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, CADMIUM ION, POL polyprotein, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-21 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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8B1V
 | | Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga | | 分子名称: | Dihydroprecondylocarpine acetate synthase 2, ZINC ION, precondylocarpine acetate | | 著者 | Langley, C, Basquin, J, Caputi, L, O'Connor, S.E. | | 登録日 | 2022-09-12 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.882 Å) | | 主引用文献 | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
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3R5P
 | | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | | 分子名称: | Deazaflavin-dependent nitroreductase, SULFATE ION | | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | 登録日 | 2011-03-19 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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3VT0
 | | Crystal structure of Ct1,3Gal43A in complex with lactose | | 分子名称: | GLYCEROL, Ricin B lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C. | | 登録日 | 2012-05-18 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.913 Å) | | 主引用文献 | Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
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3R5Y
 | | Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420 | | 分子名称: | COENZYME F420, Putative uncharacterized protein | | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | 登録日 | 2011-03-20 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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3R5W
 | | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | | 分子名称: | COENZYME F420, Deazaflavin-dependent nitroreductase | | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | 登録日 | 2011-03-20 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.786 Å) | | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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7ER3
 | | Crystal structure of beta-lactoglobulin complexed with chloroquine | | 分子名称: | (4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine, Major allergen beta-lactoglobulin | | 著者 | Yao, Q, Ma, J, Xing, Y, Zang, J. | | 登録日 | 2021-05-05 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.598 Å) | | 主引用文献 | Binding of Chloroquine to Whey Protein Relieves Its Cytotoxicity while Enhancing Its Uptake by Cells.
J.Agric.Food Chem., 69, 2021
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8B25
 | | Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga - stemmadenine acetate bound structure | | 分子名称: | 1,2-ETHANEDIOL, Dihydroprecondylocarpine acetate synthase 2, SULFATE ION, ... | | 著者 | Langley, C, Basquin, J, Caputi, L, O'Connor, S.E. | | 登録日 | 2022-09-13 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7TA8
 | | NMR structure of crosslinked cyclophilin A | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M. | | 登録日 | 2021-12-20 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink.
J.Am.Chem.Soc., 144, 2022
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2WU7
 | | Crystal Structure of the Human CLK3 in complex with V25 | | 分子名称: | CHLORIDE ION, DUAL SPECIFICITY PROTEIN KINASE CLK3, SULFATE ION, ... | | 著者 | Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Phillips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Bracher, F, Huber, K, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | | 登録日 | 2009-09-30 | | 公開日 | 2009-10-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
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4HK7
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6O9K
 | | 70S initiation complex | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Frank, J, Gonzalez Jr, R.L, kaledhonkar, S, Fu, Z, Caban, K, Li, W, Chen, B, Sun, M. | | 登録日 | 2019-03-14 | | 公開日 | 2019-05-29 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Late steps in bacterial translation initiation visualized using time-resolved cryo-EM.
Nature, 570, 2019
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4HHU
 | | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR280. | | 分子名称: | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, OR280, TETRAETHYLENE GLYCOL | | 著者 | Vorobiev, S, Lew, S, Lin, Y.-R, Seetharaman, J, Castelllanos, J, Maglaqui, M, Xiao, R, Lee, D, Koga, N, Koga, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2012-10-10 | | 公開日 | 2012-10-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of Engineered Protein OR280.
To be Published
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8AIJ
 | | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6) | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | | 著者 | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | | 登録日 | 2022-07-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB.
J.Med.Chem., 65, 2022
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8AEK
 | | Structure of Compound 14 bound to CK2alpha | | 分子名称: | 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M. | | 登録日 | 2022-07-13 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
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8B26
 | | Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga | | 分子名称: | Dihydroprecondylocarpine acetate synthase 2, ZINC ION | | 著者 | Langley, C, Basquin, J, Caputi, L, O'Connor, S.E. | | 登録日 | 2022-09-13 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
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3VQ8
 | | HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol | | 分子名称: | (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-20 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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5T54
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8A8V
 | | Mycobacterium tuberculosis ClpC1 hexamer structure bound to the natural product antibiotic Cyclomarin | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpC1, Bound polypeptide | | 著者 | Felix, J, Fraga, H, Gragera, M, Bueno, T, Weinhaeupl, K. | | 登録日 | 2022-06-24 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | | 主引用文献 | Structure of the drug target ClpC1 unfoldase in action provides insights on antibiotic mechanism of action.
J.Biol.Chem., 298, 2022
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