7N46
 
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8UUU
 | | SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162 | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | 登録日 | 2023-11-02 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8ONN
 | | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with 3-aminooxypropionic acid | | 分子名称: | 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV | | 著者 | Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. | | 登録日 | 2023-04-03 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
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8V9H
 | | GES-5-NA-1-157 complex | | 分子名称: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | 登録日 | 2023-12-08 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase.
Acs Infect Dis., 10, 2024
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7VJZ
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7VK7
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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$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | | 登録日 | 2021-05-25 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.769 Å) | | 主引用文献 | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
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7ONQ
 | | Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | | 分子名称: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$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 (1.65 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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7ONV
 | | Carbonic anhydrase II mutant (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 | 2021-05-26 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.04 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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6MPT
 | | TagT bound to LI-WTA | | 分子名称: | 2-(acetylamino)-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose, CHLORIDE ION, Polyisoprenyl-teichoic acid--peptidoglycan teichoic acid transferase TagT | | 著者 | Owens, T.W, Schaefer, K, Kahne, D, Walker, S. | | 登録日 | 2018-10-08 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | | 主引用文献 | Substrate Preferences Establish the Order of Cell Wall Assembly in Staphylococcus aureus.
J. Am. Chem. Soc., 140, 2018
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8U8M
 | | X-ray crystal structure of TEBP-1 MCD2 homodimer | | 分子名称: | COBALT (II) ION, Double-strand telomeric DNA-binding proteins 1 | | 著者 | Nandakumar, J, Padmanaban, S. | | 登録日 | 2023-09-18 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Caenorhabditis elegans telomere-binding proteins TEBP-1 and TEBP-2 adapt the Myb module to dimerize and bind telomeric DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7VJX
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7NE1
 | | Structure of the complex between Netrin-1 and its receptor Neogenin | | 分子名称: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | | 登録日 | 2021-02-02 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling.
Cell, 184, 2021
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5TTA
 | | A 1.85A X-Ray Structure from Peptoclostridium difficile 630 of a Hypothetical Protein | | 分子名称: | Putative exported protein | | 著者 | Brunzelle, J.S, Minasov, G, Shuvalova, L, Cordona-Correa, A, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-11-02 | | 公開日 | 2017-02-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A 1.85A X-Ray Structure from Peptoclostridium difficile 630 of a Hypothetical Protein
To Be Published
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7VK4
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8UKT
 | | RNA polymerase II elongation complex with Fapy-dG lesion with AMP added | | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | 著者 | Hou, P, Oh, J, Wang, D. | | 登録日 | 2023-10-15 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.
J.Am.Chem.Soc., 146, 2024
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5C82
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5TOI
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7VK2
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7VK8
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8OE5
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5TOT
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8RV6
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 2 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(4-hydroxyphenyl)benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural basis for inhibition of the SARS-CoV-2 nsp16 by substrate-based dual site inhibitors.
Chemmedchem, 2024
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7NE0
 | | Structure of the ternary complex between Netrin-1, Repulsive-Guidance Molecule-B (RGMB) and Neogenin | | 分子名称: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | | 登録日 | 2021-02-02 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling.
Cell, 184, 2021
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8UUF
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941 | | 分子名称: | ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ... | | 著者 | Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J. | | 登録日 | 2023-11-01 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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