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PDB: 672 results

8XP0
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BU of 8xp0 by Molmil
Cryo-EM structure of the protomers of the C ring in the CCW state
Descriptor: Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2024-01-02
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of the protomers of the C ring in the CCW state
To Be Published
8WKI
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BU of 8wki by Molmil
Cryo-EM structure of the distal rod-hook within the flagellar motor-hook complex in the CW state.
Descriptor: Flagellar basal-body rod protein FlgG, Flagellar hook protein FlgE
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-27
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the distal rod-hook within the flagellar motor-hook complex in the CW state.
To Be Published
8YJT
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BU of 8yjt by Molmil
Cryo-EM structure of the flagellar C ring in the CCW state
Descriptor: Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2024-03-02
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Cryo-EM structure of the flagellar C ring in the CCW state
To Be Published
8WIW
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BU of 8wiw by Molmil
Cryo-EM structure of the flagellar C ring in the CW state
Descriptor: Chemotaxis protein CheY, Flagellar M-ring protein, Flagellar motor switch protein FliG, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-25
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Cryo-EM structure of the flagellar C ring in the CW state
To Be Published
8WLI
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BU of 8wli by Molmil
Cryo-EM structure of the MS ring (C34) within the flagellar motor-hook complex in the CCW state
Descriptor: Flagellar M-ring protein
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-30
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the MS ring (C34) within the flagellar motor-hook complex in the CCW state
To Be Published
8WK3
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BU of 8wk3 by Molmil
Cryo-EM structure of the proximal rod-export apparatus and FlgF within the motor-hook complex in the CW state
Descriptor: Flagellar M-ring protein, Flagellar basal body rod protein FlgB, Flagellar basal-body rod protein FlgC, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-26
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the proximal rod-export apparatus and FlgF within the motor-hook complex in the CW state
To Be Published
8WKQ
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BU of 8wkq by Molmil
Cryo-EM structure of the MS ring (C1) with export apparatus and proximal rod within the flagellar motor-hook complex in the CW state.
Descriptor: Flagellar M-ring protein, Flagellar basal body rod protein FlgB, Flagellar basal-body rod protein FlgC, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-28
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the MS ring (C1) with export apparatus and proximal rod within the flagellar motor-hook complex in the CW state.
To Be Published
8WJR
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BU of 8wjr by Molmil
Cryo-EM structure of the MS ring (C34) within the flagellar motor-hook complex in the CW state
Descriptor: Flagellar M-ring protein
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-26
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of the MS ring (C34) within the flagellar motor-hook complex in the CW state
To Be Published
8WLQ
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BU of 8wlq by Molmil
Cryo-EM structure of the whole rod-export apparatus with hook within the flagellar motor-hook complex in the CCW state.
Descriptor: Flagellar M-ring protein, Flagellar basal body rod protein FlgB, Flagellar basal-body rod protein FlgC, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-30
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the whole rod-export apparatus with hook within the flagellar motor-hook complex in the CCW state.
To Be Published
8WKK
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BU of 8wkk by Molmil
Cryo-EM structure of the whole rod with export apparatus and hook within the flagellar motor-hook complex in the CW state.
Descriptor: Flagellar M-ring protein, Flagellar basal body rod protein FlgB, Flagellar basal-body rod protein FlgC, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-28
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the whole rod with export apparatus and hook within the flagellar motor-hook complex in the CW state.
To Be Published
8WLP
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BU of 8wlp by Molmil
Cryo-EM structure of the distal rod-hook within the flagellar motor-hook complex in the CCW state.
Descriptor: Flagellar basal-body rod protein FlgG, Flagellar hook protein FlgE
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-30
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the distal rod-hook within the flagellar motor-hook complex in the CCW state.
To Be Published
8WLH
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BU of 8wlh by Molmil
Cryo-EM structure of the proximal rod-export apparatus and FlgF within the motor-hook complex in the CCW state
Descriptor: Flagellar M-ring protein, Flagellar basal body rod protein FlgB, Flagellar basal-body rod protein FlgC, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-29
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of the proximal rod-export apparatus and FlgF within the motor-hook complex in the CCW state
To Be Published
8WK4
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BU of 8wk4 by Molmil
Cryo-EM structure of the MS ring with FlgB and FliE within the flagellar motor-hook complex in the CW state.
Descriptor: Flagellar M-ring protein, Flagellar basal body rod protein FlgB, Flagellar hook-basal body complex protein FliE
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-27
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of the MS ring with FlgB and FliE within the flagellar motor-hook complex in the CW state.
To Be Published
8WLN
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BU of 8wln by Molmil
Cryo-EM structure of the MS ring with export apparatus and proximal rod within the motor-hook complex in the CCW state
Descriptor: Flagellar M-ring protein, Flagellar basal body rod protein FlgB, Flagellar basal-body rod protein FlgC, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2023-09-30
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of the MS ring with export apparatus and proximal rod within the motor-hook complex in the CCW state
To Be Published
8XP1
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BU of 8xp1 by Molmil
Cryo-EM structure of the protomers of the C ring in the CW state
Descriptor: Chemotaxis protein CheY, Flagellar M-ring protein, Flagellar motor switch protein FliG, ...
Authors:Tan, J.X, Zhang, L, Zhou, Y, Zhu, Y.Q.
Deposit date:2024-01-02
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of the protomers of the C ring in the CW state
To Be Published
6YVF
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BU of 6yvf by Molmil
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ...
Authors: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.
Deposit date:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7A1U
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BU of 7a1u by Molmil
Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FUSIDIC ACID, ...
Authors: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, Andaleeb, H, Werner, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, 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.
Deposit date:2020-08-14
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8GOE
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BU of 8goe by Molmil
Structure of hSLC19A1+5-MTHF
Descriptor: N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-08-24
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7ADW
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BU of 7adw by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.
Descriptor: 2-methyl-1-(4-methylphenyl)propan-1-one, 3C-like proteinase, CHLORIDE ION, ...
Authors: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.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7ABU
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BU of 7abu by Molmil
Structure of SARS-CoV-2 Main Protease bound to RS102895
Descriptor: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P.Y.A, 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, Lane, T.J, Dunkel, I, 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.
Deposit date:2020-09-08
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AHA
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BU of 7aha by Molmil
Structure of SARS-CoV-2 Main Protease bound to Maleate.
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors: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, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, 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, Boger, J, 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.
Deposit date:2020-09-24
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AGA
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BU of 7aga by Molmil
Structure of SARS-CoV-2 Main Protease bound to AT7519
Descriptor: 3C-like proteinase, 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CHLORIDE ION, ...
Authors: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, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, 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, Boger, J, 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.
Deposit date:2020-09-22
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7ANS
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BU of 7ans by Molmil
Structure of SARS-CoV-2 Main Protease bound to Adrafinil.
Descriptor: 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors: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.
Deposit date:2020-10-12
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AQJ
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BU of 7aqj by Molmil
Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate.
Descriptor: 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione, 3C-like proteinase, Triglycidyl isocyanurate
Authors: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.
Deposit date:2020-10-22
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AVD
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BU of 7avd by Molmil
Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand
Descriptor: 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol, 3C-like proteinase, CHLORIDE ION
Authors:Koua, F, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Ewert, W, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, 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.
Deposit date:2020-11-05
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021

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건을2024-10-16부터공개중

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