7KHP
 
 | | Acyl-enzyme intermediate structure of SARS-CoV-2 Mpro in complex with its C-terminal autoprocessing sequence. | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J. | | 登録日 | 2020-10-21 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020
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7DAT
 | | The crystal structure of COVID-19 main protease treated by AF | | 分子名称: | COVID-19 MAIN PROTEASE, GOLD ION | | 著者 | He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y. | | 登録日 | 2020-10-18 | | 公開日 | 2021-11-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
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7DAV
 | | The native crystal structure of COVID-19 main protease | | 分子名称: | COVID-19 MAIN PROTEASE | | 著者 | He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y. | | 登録日 | 2020-10-18 | | 公開日 | 2021-11-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
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7DAU
 | | The crystal structure of COVID-19 main protease treated by GA | | 分子名称: | COVID-19 MAIN PROTEASE, GOLD ION | | 著者 | He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y. | | 登録日 | 2020-10-18 | | 公開日 | 2021-11-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
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7KGS
 | | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N138-146 | | 分子名称: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | 登録日 | 2020-10-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule.
Iscience, 24, 2021
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7KGT
 | | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N226-234 | | 分子名称: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | 登録日 | 2020-10-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule.
Iscience, 24, 2021
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7KGP
 | | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N316-324 | | 分子名称: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | 登録日 | 2020-10-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.396 Å) | | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule.
Iscience, 24, 2021
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7KGO
 | | Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N351-359 | | 分子名称: | Beta-2-microglobulin, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | 登録日 | 2020-10-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule.
Iscience, 24, 2021
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7KGR
 | | Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N159-167 | | 分子名称: | Beta-2-microglobulin, MHC class I antigen, Nucleoprotein | | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | 登録日 | 2020-10-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule.
Iscience, 24, 2021
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7KGQ
 | | Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N222-230 | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ... | | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | 登録日 | 2020-10-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule.
Iscience, 24, 2021
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7APH
 | | Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin. | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-10-16 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7AP6
 | | Structure of SARS-CoV-2 Main Protease bound to MUT056399. | | 分子名称: | 3C-like proteinase, 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide | | 著者 | Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-10-16 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7KG6
 | | Structure of human PARG complexed with PARG-322 | | 分子名称: | 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid, Poly(ADP-ribose) glycohydrolase | | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | 登録日 | 2020-10-16 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7KG7
 | | Structure of human PARG complexed with PARG-292 | | 分子名称: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ... | | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | 登録日 | 2020-10-16 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7KG8
 | | Structure of human PARG complexed with PARG-061 | | 分子名称: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | 登録日 | 2020-10-16 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7KFV
 | | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B12 Fab) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody C1A-B12 Fab, Spike glycoprotein, ... | | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | | 登録日 | 2020-10-15 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Biorxiv, 2020
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7KFX
 | | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-C2 Fab) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-C2 Fab, ... | | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | | 登録日 | 2020-10-15 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.226 Å) | | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Biorxiv, 2020
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7KG1
 | | Structure of human PARG complexed with PARG-002 | | 分子名称: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | 登録日 | 2020-10-15 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7KG0
 | | Structure of human PARG complexed with PARG-131 | | 分子名称: | 1,2-ETHANEDIOL, 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione, Poly(ADP-ribose) glycohydrolase, ... | | 著者 | Arvai, A, Bommagani, S, Brosey, C.A, Jones, D.E, Warden, L.S, Ahmed, Z, Tainer, J.A. | | 登録日 | 2020-10-15 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7KFY
 | | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-F10 Fab) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-F10 Fab, ... | | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | | 登録日 | 2020-10-15 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.157 Å) | | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Biorxiv, 2020
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7KG3
 | | Crystal structure of CoV-2 Nsp3 Macrodomain | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ... | | 著者 | Arvai, A, Brosey, C.A, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | | 登録日 | 2020-10-15 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7KFW
 | | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B3 Fab) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of antibody C1A-B3 Fab, ... | | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | | 登録日 | 2020-10-15 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.792 Å) | | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Biorxiv, 2020
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7AOL
 | | Structure of SARS-CoV-2 Main Protease bound to Climbazole | | 分子名称: | (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-10-14 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7KFP
 | | Structure of human PARG complexed with PARG-119 | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide, ... | | 著者 | Brosey, C.A, Bommagani, S, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | 登録日 | 2020-10-14 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7KFI
 | | SARS-CoV-2 Main protease immature form - apo structure | | 分子名称: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | 登録日 | 2020-10-14 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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