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2B97
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BU of 2b97 by Molmil
Ultra-high resolution structure of hydrophobin HFBII
分子名称: Hydrophobin II, MANGANESE (II) ION
著者Hakanpaa, J, Linder, M, Popov, A, Schmidt, A, Rouvinen, J.
登録日2005-10-11
公開日2006-03-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (0.75 Å)
主引用文献Hydrophobin HFBII in detail: ultrahigh-resolution structure at 0.75 A.
Acta Crystallogr.,Sect.D, 62, 2006
1R2M
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BU of 1r2m by Molmil
Atomic resolution structure of the HFBII hydrophobin: a self-assembling amphiphile
分子名称: Hydrophobin II, MANGANESE (II) ION
著者Hakanpaa, J, Paananen, A, Askolin, S, Nakari-Setala, T, Parkkinen, T, Penttila, M, Linder, M.B, Rouvinen, J.
登録日2003-09-29
公開日2004-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic resolution structure of the HFBII hydrophobin, a self-assembling amphiphile.
J.Biol.Chem., 279, 2004
1XNK
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BU of 1xnk by Molmil
Beta-1,4-xylanase from Chaetomium thermophilum complexed with methyl thioxylopentoside
分子名称: 4-thio-beta-D-xylopyranose-(1-4)-4-thio-beta-D-xylopyranose-(1-4)-methyl 4-thio-alpha-D-xylopyranoside, SULFATE ION, endoxylanase 11A
著者Hakanpaa, J, Hakulinen, N, Rouvinen, J.
登録日2004-10-05
公開日2005-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Determination of thioxylo-oligosaccharide binding to family 11 xylanases using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and X-ray crystallography
FEBS J., 272, 2005
8BDW
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BU of 8bdw by Molmil
Crystal structure of CnaB2 domain from Lactobacillus plantarum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell surface adherence protein,collagen-binding domain, LPXTG-motif cell wall anchor, ...
著者Taberman, H, Hakanpaa, J, Linder, M.B, Aranko, A.S.
登録日2022-10-20
公開日2023-02-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Biomolecular Click Reactions Using a Minimal pH-Activated Catcher/Tag Pair for Producing Native-Sized Spider-Silk Proteins.
Angew.Chem.Int.Ed.Engl., 62, 2023
5NVD
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BU of 5nvd by Molmil
Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria at 2.5 A resolution in P6322 crystal form
分子名称: CBS-CP12
著者Hackenberg, C, Hakanpaa, J, Eigner, C, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
登録日2017-05-04
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NPL
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Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria, Yb-derivative at 2.8 A resolution
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, Similar to tr|Q8YYT1|Q8YYT1, YTTERBIUM (III) ION
著者Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
登録日2017-04-17
公開日2018-05-30
最終更新日2018-07-11
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NMU
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BU of 5nmu by Molmil
Structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria
分子名称: CBS-CP12, CHLORIDE ION
著者Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
登録日2017-04-07
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NPT
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BU of 5npt by Molmil
Structure of the N-terminal domain of the yeast telomerase reverse transcriptase
分子名称: Telomerase reverse transcriptase
著者Rodina, E.V, Lebedev, A.A, Hakanpaa, J, Hackenberg, C, Petrova, O.A, Zvereva, M.I, Dontsova, O.A, Lamzin, V.S.
登録日2017-04-18
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and function of the N-terminal domain of the yeast telomerase reverse transcriptase.
Nucleic Acids Res., 46, 2018
7QLP
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BU of 7qlp by Molmil
Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M.
登録日2021-12-20
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
7QNK
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BU of 7qnk by Molmil
Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution
分子名称: ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE
著者Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M.
登録日2021-12-21
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
7QOR
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BU of 7qor by Molmil
Structure of beta-lactamase TEM-171
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M.
登録日2021-12-28
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
8R7M
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BU of 8r7m by Molmil
CTX-M14 in complex with boric acid and 1,2-diol boric ester
分子名称: BORIC ACID, Beta-lactamase, GLYCEROL, ...
著者Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C.
登録日2023-11-26
公開日2024-01-17
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8B3T
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BU of 8b3t by Molmil
Hen Egg White Lysozyme 4s in situ crystallization
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D.
登録日2022-09-16
公開日2022-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
8B3U
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BU of 8b3u by Molmil
Hen Egg White Lysozyme 6s in situ crystallization
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D.
登録日2022-09-16
公開日2022-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
8B3V
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BU of 8b3v by Molmil
Hen Egg White Lysozyme 8s in situ crystallization
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D.
登録日2022-09-16
公開日2022-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
8B3L
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BU of 8b3l by Molmil
Hen Egg White Lysozyme 2s in situ crystallization
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D.
登録日2022-09-16
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
6YNQ
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BU of 6ynq by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.
分子名称: (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ...
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2020-04-14
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6YVF
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Structure of SARS-CoV-2 Main Protease bound to AZD6482.
分子名称: 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, ...
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2020-04-28
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7NEV
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Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者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
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7OFU
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Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者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.
登録日2021-05-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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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Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol
分子名称: 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ...
著者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.
登録日2021-05-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7NFV
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Structure of SARS-CoV-2 Papain-like protease PLpro
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C.
登録日2021-02-07
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献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
分子名称: CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ...
著者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.
登録日2021-05-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
5LGF
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Solution structure of the N-terminal domain of Ogataea polymorpha telomerase reverse transcriptase
分子名称: Telomerase reverse transcriptase
著者Polshakov, V.I, Mantsyzov, A.B, Efimov, S.V.
登録日2016-07-07
公開日2017-07-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and function of the N-terminal domain of the yeast telomerase reverse transcriptase.
Nucleic Acids Res., 46, 2018
7AGA
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BU of 7aga by Molmil
Structure of SARS-CoV-2 Main Protease bound to AT7519
分子名称: 3C-like proteinase, 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CHLORIDE ION, ...
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, 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.
登録日2020-09-22
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 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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