8PJX
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5EK0
| Human Nav1.7-VSD4-NavAb in complex with GX-936. | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha | 著者 | Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J. | 登録日 | 2015-11-03 | 公開日 | 2015-12-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.53 Å) | 主引用文献 | Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist. Science, 350, 2015
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6XQM
| Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with laminarihexaose, presenting a laminaribiose and a glucose at active site | 分子名称: | CALCIUM ION, GH16 family protein, PHOSPHATE ION, ... | 著者 | Liberato, M.V, Squina, F. | 登録日 | 2020-07-09 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds. J.Biol.Chem., 296, 2021
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6EA6
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8PGZ
| Crystal structure of the metallo-beta-lactamase VIM1 with 3528 | 分子名称: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridazin-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | 登録日 | 2023-06-18 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3528 To Be Published
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6XQG
| Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellobiosyl-cellobiose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site | 分子名称: | CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | 著者 | Liberato, M.V, Squina, F. | 登録日 | 2020-07-09 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds. J.Biol.Chem., 296, 2021
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7K9P
| Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX. | 分子名称: | CITRIC ACID, Uridylate-specific endoribonuclease | 著者 | Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P. | 登録日 | 2020-09-29 | 公開日 | 2020-10-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser. Structure, 2022
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7ZEU
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6EAD
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8PMF
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5EK9
| Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor | 分子名称: | Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | 著者 | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-03 | 公開日 | 2016-11-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg. Med. Chem., 26, 2018
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8PKS
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6EOU
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6XAB
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8PMN
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6EAF
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6XY3
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7K9V
| Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00452 | 分子名称: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ... | 著者 | Kuntz, D.A, Prive, G.G. | 登録日 | 2020-09-29 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity. J.Med.Chem., 64, 2021
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6IV3
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8PRM
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6PJA
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6XAD
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7ONM
| Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | 分子名称: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | 登録日 | 2021-05-25 | 公開日 | 2021-12-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.769 Å) | 主引用文献 | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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8PRI
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6EB6
| Crystal structure of BAX W139A monomer | 分子名称: | Apoptosis regulator BAX, FORMIC ACID | 著者 | Robin, A.Y. | 登録日 | 2018-08-05 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.023 Å) | 主引用文献 | BAX Activation: Mutations Near Its Proposed Non-canonical BH3 Binding Site Reveal Allosteric Changes Controlling Mitochondrial Association. Cell Rep, 27, 2019
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