7QIB
 
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UDP | | 分子名称: | CHLORIDE ION, Glucosyl-3-phosphoglycerate synthase, MAGNESIUM ION, ... | | 著者 | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | | 登録日 | 2021-12-14 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UDP
To Be Published
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7QKA
 | | Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7QKE
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | 著者 | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7QI9
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7QKC
 | | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | | 分子名称: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7QNN
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | 著者 | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | 登録日 | 2021-12-21 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7QNS
 | | Peptide VYEKKP in complex with human cathepsin V C25S mutant | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | | 著者 | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | | 登録日 | 2021-12-22 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Peptide VYEKKP in complex with human cathepsin V C25S mutant
To Be Published
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7QO2
 | | Peptide GAKSAA in complex with human cathepsin V C25A mutant | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | | 著者 | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | | 登録日 | 2021-12-23 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Peptide GAKSAA in complex with human cathepsin V C25A mutant
To Be Published
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7QW7
 | | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate fully methylated DNA duplex | | 分子名称: | Fully methylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | | 登録日 | 2022-01-24 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
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7QW5
 | | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate unmethylated DNA duplex | | 分子名称: | Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE, Unmethylated DNA duplex | | 著者 | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | | 登録日 | 2022-01-24 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
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7QW6
 | | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate hemimethylated DNA duplex | | 分子名称: | Hemimethylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | | 登録日 | 2022-01-24 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
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7QW8
 | | Adenine-specific DNA methyltransferase M.BseCI | | 分子名称: | Modification methylase BseCI | | 著者 | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | | 登録日 | 2022-01-24 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
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7QVW
 | | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera | | 分子名称: | CALCIUM ION, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | | 登録日 | 2022-01-23 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.922 Å) | | 主引用文献 | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
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7QWJ
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7QWI
 | | Vanadate complex of the vanadium-dependent bromoperoxidase from Corallina pilulifera | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | | 著者 | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | | 登録日 | 2022-01-25 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
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7QYY
 | | Vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with chloride | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | | 登録日 | 2022-01-29 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
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7QW3
 | | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with Br ion. | | 分子名称: | BROMIDE ION, CALCIUM ION, GLYCEROL, ... | | 著者 | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | | 登録日 | 2022-01-24 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
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7QWN
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | 分子名称: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | | 登録日 | 2022-01-25 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7QXV
 | | Crystal Structure of Haem-Binding Protein HemS Mutant F104A F199A, from Yersinia enterocolitica | | 分子名称: | DI(HYDROXYETHYL)ETHER, Hemin transport protein | | 著者 | Barker, P.D, Keith, A, Brear, P, Wales, D. | | 登録日 | 2022-01-27 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Crystal Structure of Haem-Binding Protein HemS Mutant F104A F199A, from Yersinia enterocolitica
To Be Published
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7QAR
 | | Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature | | 分子名称: | (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase | | 著者 | Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A. | | 登録日 | 2021-11-17 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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7QA1
 | | The structure of natural crystals of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated using serial femtosecond crystallography at an X-ray free electron laser | | 分子名称: | Toxin-10 pesticidal protein (Tpp) 49Aa1 | | 著者 | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R, Best, H.L. | | 登録日 | 2021-11-15 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7RG1
 | | Importin alpha2 in complex with MERS ORF4B H26A mutant | | 分子名称: | Importin subunit alpha-1, ORF4b | | 著者 | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | 登録日 | 2021-07-14 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Importin alpha2 in complex with MERS ORF4B NLS H26A mutant
To Be Published
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7RFY
 | | Importin alpha3 in complex with MERS ORF4B | | 分子名称: | Importin subunit alpha-3, ORF4b | | 著者 | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | 登録日 | 2021-07-14 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
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7RG0
 | | Importin alpha2 in complex with MERS ORF4B R24A mutant | | 分子名称: | Importin subunit alpha-1, ORF4b | | 著者 | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | 登録日 | 2021-07-14 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
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7RFX
 | | Importin alpha2 in complex with MERS ORF4B | | 分子名称: | Importin subunit alpha-1, ORF4b | | 著者 | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | 登録日 | 2021-07-14 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
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