8DQG
| Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to AMPPNP and acridone | 分子名称: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | 登録日 | 2022-07-19 | 公開日 | 2022-12-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
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8DQF
| Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | 分子名称: | Carbonic anhydrase, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, SULFATE ION, ... | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | 登録日 | 2022-07-19 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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8DQA
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8DQ6
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8DQ4
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8DPY
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8DPW
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8DPR
| Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248 | 分子名称: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2022-07-16 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
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8DPK
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8DPC
| Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae | 分子名称: | Carbonic anhydrase, SULFATE ION, ZINC ION | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | 登録日 | 2022-07-15 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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8DPB
| MeaB in complex with the cobalamin-binding domain of its target mutase with GMPPCP bound | 分子名称: | GLYCEROL, MAGNESIUM ION, Methylmalonyl-CoA mutase accessory protein, ... | 著者 | Vaccaro, F.A, Born, D.A, Drennan, C.L. | 登録日 | 2022-07-15 | 公開日 | 2023-03-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Structure of metallochaperone in complex with the cobalamin-binding domain of its target mutase provides insight into cofactor delivery. Proc.Natl.Acad.Sci.USA, 120, 2023
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8DP7
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8DP2
| Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with UMA (Uridine-5'-diphosphate-N-acetylmuramoyl-L-Alanine) | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, GLYCEROL, ... | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2022-07-14 | 公開日 | 2022-08-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with UMA (Uridine-5'-diphosphate-N-acetylmuramoyl-L-Alanine) to be published
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8DOZ
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8DOY
| Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198 | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ... | 著者 | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2022-07-14 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Potent and biostable inhibitors of the main protease of SARS-CoV-2. Iscience, 25, 2022
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8DOX
| Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 著者 | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2022-07-14 | 公開日 | 2022-09-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
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8DOV
| Crystal structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in complex with Hemoglobin | 分子名称: | GLYCEROL, Heme-binding protein Shr, Hemoglobin subunit alpha, ... | 著者 | Macdonald, R, Mahoney, B.J, Cascio, D, Clubb, R.T. | 登録日 | 2022-07-14 | 公開日 | 2023-01-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Shr receptor from Streptococcus pyogenes uses a cap and release mechanism to acquire heme-iron from human hemoglobin. Proc.Natl.Acad.Sci.USA, 120, 2023
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8DOR
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8DOJ
| Dehaloperoxidase B in complex with 3,3'-Biphenol | 分子名称: | (1P)-[1,1'-biphenyl]-3,3'-diol, Dehaloperoxidase B, GLYCEROL, ... | 著者 | de Serrano, V.S, Yun, D, Ghiladi, R. | 登録日 | 2022-07-13 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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8DOI
| Dehaloperoxidase B in complex with 2,2'-Biphenol | 分子名称: | 2-(2-hydroxyphenyl)phenol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | de Serrano, V.S, Yun, D, Ghiladi, R. | 登録日 | 2022-07-13 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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8DOH
| Dehaloperoxidase B in complex with Bisphenol F | 分子名称: | 4,4'-methylenediphenol, Dehaloperoxidase B, GLYCEROL, ... | 著者 | de Serrano, V.S, Yun, D, Ghiladi, R. | 登録日 | 2022-07-13 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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8DOG
| Dehaloperoxidase B in complex with Bisphenol E | 分子名称: | 4-[1-(4-hydroxyphenyl)ethyl]phenol, Dehaloperoxidase B, GLYCEROL, ... | 著者 | de Serrano, V.S, Yun, D, Ghiladi, R. | 登録日 | 2022-07-13 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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8DOF
| Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044 | 分子名称: | (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol, 1,2-ETHANEDIOL, SULFATE ION, ... | 著者 | Horanyi, P.S, Wang, Y, Todd, M.H, Abendroth, J, Edwards, T, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2022-07-13 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044 To Be Published
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8DOC
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8DO8
| Crystal structure ATG9 HDIR in complex with the ATG13:ATG101 HORMA dimer | 分子名称: | Autophagy-related protein 101, Autophagy-related protein 13, GLYCEROL | 著者 | Buffalo, C.Z, Ren, X, Yokom, A.L, Hurley, J.H. | 登録日 | 2022-07-12 | 公開日 | 2022-11-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structural basis for ATG9A recruitment to the ULK1 complex in mitophagy initiation. Sci Adv, 9, 2023
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