7NEV

Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin

「6YZ6」から置き換えられました

7NEV の概要

• エントリーDOI: 10.2210/pdb7nev/pdb
• 関連するBIRD辞書のPRD_ID: PRD_000216
• 分子名称: 3C-like proteinase, LEUPEPTIN, DIMETHYL SULFOXIDE, ... (6 entities in total)
• 機能のキーワード: sars-cov-2, mpro, covid-!9, peptide binding protein
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 34672.19

構造登録者

Guenther, S.,Reinke, P.Y.A.,Oberthuer, D.,Yefanov, O.,Gelisio, L.,Ginn, H.M.,Lieske, J.,Domaracky, M.,Brehm, W.,Rahmani Mashhour, 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.,Xavier, P.L.,Ullah, N.,Andaleeb, H.,Falke, S.,Alves Franca, B.,Schwinzer, M.,Brognaro, H.,Werner, N.,Perbandt, M.,Tidow, H.,Seychell, B.,Beck, T.,Meier, S.,Zaitsev-Doyle, J.J.,Rogers, C.,Gieseler, H.,Melo, D.,Monteiro, D.C.F.,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.,Schluenzen, F.,Schulz, E.C.,Mehrabi, P.,Norton-Baker, B.,Schmidt, C.,Lorenzen, K.,Schubert, R.,Sun, X.,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: 2021-02-05, 公開日: 2021-03-03, 最終更新日: 2024-01-31)

• 主引用文献: Gunther, S.,Reinke, P.Y.A.,Fernandez-Garcia, Y.,Lieske, J.,Lane, T.J.,Ginn, H.M.,Koua, F.H.M.,Ehrt, C.,Ewert, W.,Oberthuer, D.,Yefanov, O.,Meier, S.,Lorenzen, K.,Krichel, B.,Kopicki, J.D.,Gelisio, L.,Brehm, W.,Dunkel, I.,Seychell, B.,Gieseler, H.,Norton-Baker, B.,Escudero-Perez, B.,Domaracky, M.,Saouane, S.,Tolstikova, A.,White, T.A.,Hanle, A.,Groessler, M.,Fleckenstein, H.,Trost, F.,Galchenkova, M.,Gevorkov, Y.,Li, C.,Awel, S.,Peck, A.,Barthelmess, M.,Schlunzen, F.,Lourdu Xavier, P.,Werner, N.,Andaleeb, H.,Ullah, N.,Falke, S.,Srinivasan, V.,Franca, B.A.,Schwinzer, M.,Brognaro, H.,Rogers, C.,Melo, D.,Zaitseva-Doyle, J.J.,Knoska, J.,Pena-Murillo, G.E.,Mashhour, A.R.,Hennicke, V.,Fischer, P.,Hakanpaa, J.,Meyer, J.,Gribbon, P.,Ellinger, B.,Kuzikov, M.,Wolf, M.,Beccari, A.R.,Bourenkov, G.,von Stetten, D.,Pompidor, G.,Bento, I.,Panneerselvam, S.,Karpics, I.,Schneider, T.R.,Garcia-Alai, M.M.,Niebling, S.,Gunther, C.,Schmidt, C.,Schubert, R.,Han, H.,Boger, J.,Monteiro, D.C.F.,Zhang, L.,Sun, X.,Pletzer-Zelgert, J.,Wollenhaupt, J.,Feiler, C.G.,Weiss, M.S.,Schulz, E.C.,Mehrabi, P.,Karnicar, K.,Usenik, A.,Loboda, J.,Tidow, H.,Chari, A.,Hilgenfeld, R.,Uetrecht, C.,Cox, R.,Zaliani, A.,Beck, T.,Rarey, M.,Gunther, S.,Turk, D.,Hinrichs, W.,Chapman, H.N.,Pearson, A.R.,Betzel, C.,Meents, A.; X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.; Science, 372:642-646, 2021; PubMed: 33811162; DOI: 10.1126/science.abf7945

実験手法

X-RAY DIFFRACTION (1.7 Å)