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8Q66
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BU of 8q66 by Molmil
Crystal Structure of the C. elegans MUT-7 MUT-8 CTD complex
Descriptor: 1,2-ETHANEDIOL, Exonuclease mut-7, SH2 domain-containing protein, ...
Authors:Falk, S, Busetto, V.
Deposit date:2023-08-11
Release date:2024-03-06
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:MUT-7 exoribonuclease activity and localization are mediated by an ancient domain.
Nucleic Acids Res., 52, 2024
7O6N
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BU of 7o6n by Molmil
Crystal structure of C. elegans ERH-2 PID-3 complex
Descriptor: Enhancer of rudimentary homolog 2, FORMIC ACID, Protein pid-3
Authors:Falk, S, Ketting, R.F.
Deposit date:2021-04-11
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural basis of PETISCO complex assembly during piRNA biogenesis in C. elegans .
Genes Dev., 35, 2021
7O6L
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BU of 7o6l by Molmil
Crystal structure of C. elegans ERH-2
Descriptor: Enhancer of rudimentary homolog 2
Authors:Falk, S, Ketting, R.F.
Deposit date:2021-04-11
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of PETISCO complex assembly during piRNA biogenesis in C. elegans .
Genes Dev., 35, 2021
6TSY
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BU of 6tsy by Molmil
Cytochrome c6 from Thermosynechococcus elongatus in a monoclinic space group
Descriptor: Cytochrome c6, HEME C, SULFATE ION
Authors:Feiler, C.G, Falke, S, Sarrou, I.
Deposit date:2019-12-21
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structures of native cytochrome c6from Thermosynechococcus elongatus in two different space groups and implications for its oligomerization.
Acta Crystallogr.,Sect.F, 76, 2020
7QKD
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BU of 7qkd by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound MG132
Descriptor: ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors: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.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 2024
6HMZ
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BU of 6hmz by Molmil
Crystal Structure of a Single-Domain Cyclophilin from Brassica napus Phloem Sap
Descriptor: Cyclosporin, MAGNESIUM ION, MALONATE ION, ...
Authors:Falke, S, Hanhart, P, Garbe, M, Thiess, M, Betzel, C, Kehr, J.
Deposit date:2018-09-13
Release date:2018-11-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Enzyme activity and structural features of three single-domain phloem cyclophilins from Brassica napus.
Sci Rep, 9, 2019
8BY5
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BU of 8by5 by Molmil
C. elegans TOFU-6 eTUDOR TOFU-1 peptide complex
Descriptor: CHLORIDE ION, Embryonic developmental protein tofu-6, GLYCEROL, ...
Authors:Ketting, R, Falk, S.
Deposit date:2022-12-12
Release date:2023-08-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:piRNA processing by a trimeric Schlafen-domain nuclease.
Nature, 622, 2023
6ZDW
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BU of 6zdw by Molmil
Crystal structure of the ribonuclease core of R3B2
Descriptor: DRBM domain-containing protein
Authors:Canovas-Marquez, J.T, Garre, V, Falk, S.
Deposit date:2020-06-15
Release date:2021-03-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An RNase III ribonuclease has evolved in early-diverging fungi to cut single-stranded RNA
Nucleic Acids Res., 2021
7OCZ
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BU of 7ocz by Molmil
Crystal Structure of the PID-3 RRM domain
Descriptor: CHLORIDE ION, Protein pid-3
Authors:Basquin, J, Ketting, R.F, Falk, S.
Deposit date:2021-04-28
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural basis of PETISCO complex assembly during piRNA biogenesis in C. elegans .
Genes Dev., 35, 2021
7OCX
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BU of 7ocx by Molmil
Crystal Structure of the PID-3 TOFU-6 RRM domain complex
Descriptor: Embryonic developmental protein tofu-6, Protein pid-3
Authors:Basquin, J, Ketting, R.F, Falk, S.
Deposit date:2021-04-28
Release date:2021-08-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of PETISCO complex assembly during piRNA biogenesis in C. elegans .
Genes Dev., 35, 2021
6FT6
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BU of 6ft6 by Molmil
Structure of the Nop53 pre-60S particle bound to the exosome nuclear cofactors
Descriptor: 25S ribosomal RNA, 5S ribosomal RNA, 60S ribosomal protein L11-A, ...
Authors:Schuller, J.M, Falk, S, Conti, E.
Deposit date:2018-02-20
Release date:2018-03-28
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the nuclear exosome captured on a maturing preribosome.
Science, 360, 2018
6FSZ
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BU of 6fsz by Molmil
Structure of the nuclear RNA exosome
Descriptor: ATP-dependent RNA helicase DOB1, Exosome complex component CSL4, Exosome complex component MTR3, ...
Authors:Schuller, J.M, Falk, S, Conti, E.
Deposit date:2018-02-20
Release date:2018-03-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the nuclear exosome captured on a maturing preribosome.
Science, 360, 2018
6H25
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BU of 6h25 by Molmil
Human nuclear RNA exosome EXO-10-MPP6 complex
Descriptor: Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ...
Authors:Gerlach, P, Schuller, J.M, Falk, S, Basquin, J, Conti, E.
Deposit date:2018-07-13
Release date:2018-08-15
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Distinct and evolutionary conserved structural features of the human nuclear exosome complex.
Elife, 7, 2018
6RO1
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BU of 6ro1 by Molmil
X-ray crystal structure of the MTR4 NVL complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
Authors:Lingaraju, M, Langer, L.M, Basquin, J, Falk, S, Conti, E.
Deposit date:2019-05-10
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:The MTR4 helicase recruits nuclear adaptors of the human RNA exosome using distinct arch-interacting motifs.
Nat Commun, 10, 2019
8IGF
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BU of 8igf by Molmil
Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution
Descriptor: (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I.
Deposit date:2023-02-20
Release date:2024-02-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II.
Int.J.Biol.Macromol., 267, 2024
7OFU
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BU of 7ofu by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFS
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BU of 7ofs by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol
Descriptor: 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFT
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BU of 7oft by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde
Descriptor: CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7AQI
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BU of 7aqi by Molmil
Structure of SARS-CoV-2 Main Protease bound to Ifenprodil
Descriptor: 3C-like proteinase, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, DIMETHYL SULFOXIDE, ...
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:2020-10-21
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
7AR5
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BU of 7ar5 by Molmil
Structure of apo SARS-CoV-2 Main Protease with small beta angle, space group C2.
Descriptor: 3C-like proteinase, 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:2020-10-23
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AF0
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BU of 7af0 by Molmil
Structure of SARS-CoV-2 Main Protease bound to Ipidacrine.
Descriptor: 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine, 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:2020-09-18
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
7APH
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BU of 7aph by Molmil
Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin.
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, 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:2020-10-16
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AMJ
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BU of 7amj by Molmil
Structure of SARS-CoV-2 Main Protease bound to PD 168568.
Descriptor: (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-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, 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:2020-10-09
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AX6
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BU of 7ax6 by Molmil
Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester
Descriptor: (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid, 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:2020-11-09
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AK4
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BU of 7ak4 by Molmil
Structure of SARS-CoV-2 Main Protease bound to Tretazicar.
Descriptor: 3C-like proteinase, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, 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:2020-09-29
Release date:2020-12-02
Last modified:2024-01-31
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

225399

数据于2024-09-25公开中

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