Author results

3IYJ
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BOVINE PAPILLOMAVIRUS TYPE 1 OUTER CAPSID
Descriptor:Major capsid protein L1
Authors:Wolf, M., Garcea, R.L., Grigorieff, N., Harrison, S.C.
Deposit date:2009-12-15
Release date:2010-01-26
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Subunit interactions in bovine papillomavirus.
Proc.Natl.Acad.Sci.USA, 107, 2010
6KMF
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FIMA TYPE V PILUS FROM P.GINGIVALIS
Descriptor:Major fimbrium subunit FimA type-1
Authors:Shibata, S., Shoji, M., Matsunami, H., Matthews, M., Imada, K., Nakayama, K., Wolf, M.
Deposit date:2019-07-31
Release date:2020-04-15
Last modified:2020-06-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of polymerized type V pilin reveals assembly mechanism involving protease-mediated strand exchange.
Nat Microbiol, 5, 2020
6YNQ
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STRUCTURE OF SARS-COV-2 MAIN PROTEASE BOUND TO 2-METHYL-1-TETRALONE.
Descriptor:Replicase polyprotein 1ab, (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 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:2020-04-14
Release date:2020-04-29
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of SARS-CoV-2 Main Protease bound 2-Methyl-1-tetralone.
To Be Published
6YT8
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STRUCTURE OF SARS-COV-2 MAIN PROTEASE BOUND TO PYRITHIONE ZINC
Descriptor:Replicase polyprotein 1ab, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, IMIDAZOLE, ...
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:2020-04-24
Release date:2020-05-06
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of SARS-CoV-2 Main Protease bound 2-Methyl-1-tetralone.
To Be Published
6YVF
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STRUCTURE OF SARS-COV-2 MAIN PROTEASE BOUND TO AZD6482.
Descriptor:Replicase polyprotein 1ab, 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 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:2020-04-28
Release date:2020-05-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of SARS-CoV-2 Main Protease bound 2-Methyl-1-tetralone.
To Be Published
6YZ6
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STRUCTURE OF THE HEMIACETAL COMPLEX BETWEEN THE SARS-COV-2 MAIN PROTEASE AND LEUPEPTIN
Descriptor:Main Protease, LEUPEPTIN, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2020-05-06
Release date:2020-05-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
To Be Published
6CX1
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CRYO-EM STRUCTURE OF SENECA VALLEY VIRUS-ANTHRAX TOXIN RECEPTOR 1 COMPLEX
Descriptor:Anthrax toxin receptor 1, Capsid protein VP1, Capsid protein VP2, ...
Authors:Jayawardena, N., Burga, L., Easingwood, R., Takizawa, Y., Wolf, M., Bostina, M.
Deposit date:2018-04-02
Release date:2018-10-31
Last modified:2018-11-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for anthrax toxin receptor 1 recognition by Seneca Valley Virus.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6L49
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H3-CA-H3 TRI-NUCLEOSOME WITH THE 22 BASE-PAIR LINKER DNA
Descriptor:Histone H3-like centromeric protein A, Histone H4, Histone H2A type 1-B/E, ...
Authors:Takizawa, Y., Ho, C.-H., Tachiwana, H., Matsunami, H., Ohi, M., Wolf, M., Kurumizaka, H.
Deposit date:2019-10-16
Release date:2019-12-04
Last modified:2020-01-22
Method:ELECTRON MICROSCOPY (18.9 Å)
Cite:Cryo-EM Structures of Centromeric Tri-nucleosomes Containing a Central CENP-A Nucleosome.
Structure, 28, 2020
6L4A
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H3-H3-H3 TRI-NUCLEOSOME WITH THE 22 BASE-PAIR LINKER DNA
Descriptor:Histone H3.1, Histone H4, Histone H2A type 1-B/E, ...
Authors:Takizawa, Y., Ho, C.-H., Tachiwana, H., Matsunami, H., Ohi, M., Wolf, M., Kurumizaka, H.
Deposit date:2019-10-16
Release date:2019-12-04
Last modified:2020-01-22
Method:ELECTRON MICROSCOPY (12.3 Å)
Cite:Cryo-EM Structures of Centromeric Tri-nucleosomes Containing a Central CENP-A Nucleosome.
Structure, 28, 2020
4WIA
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CRYSTAL STRUCTURE OF FLAGELLAR ACCESSORY PROTEIN FLAH FROM METHANOCALDOCOCCUS JANNASCHII
Descriptor:Putative flagella-related protein H, SULFATE ION, GLYCEROL
Authors:Meshcheryakov, V.A., Wolf, M.
Deposit date:2014-09-25
Release date:2015-10-07
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the flagellar accessory protein FlaH of Methanocaldococcus jannaschii suggests a regulatory role in archaeal flagellum assembly.
Protein Sci., 25, 2016
5JXL
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CRYO-EM STRUCTURE OF THE FLAGELLAR HOOK OF CAMPYLOBACTER JEJUNI
Descriptor:flagellar hook protein FlgE
Authors:Matsunami, H., Wolf, M., Samatey, F.A.
Deposit date:2016-05-13
Release date:2016-11-16
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Complete structure of the bacterial flagellar hook reveals extensive set of stabilizing interactions
Nat Commun, 7, 2016
5YA6
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CRYSTAL STRUCTURE OF ARCHAEAL FLAGELLIN FLAB1 FROM METHANOCALDOCOCCUS JANNASCHII
Descriptor:Flagellin B1, CALCIUM ION
Authors:Meshcheryakov, V.A., Wolf, M.
Deposit date:2017-08-30
Release date:2019-02-06
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution archaellum structure reveals a conserved metal-binding site.
Embo Rep., 20, 2019
5Z1L
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CRYO-EM STRUCTURE OF METHANOCCUS MARIPALUDIS ARCHAELLUM
Descriptor:Flagellin
Authors:Meshcheryakov, V.A., Shibata, S., Schreiber, M.T., Villar-Briones, A., Jarrell, K.F., Aizawa, S., Wolf, M.
Deposit date:2017-12-26
Release date:2019-02-13
Last modified:2019-05-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:High-resolution archaellum structure reveals a conserved metal-binding site.
Embo Rep., 20, 2019
5Z9W
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EBOLA VIRUS NUCLEOPROTEIN-RNA COMPLEX
Descriptor:Ebolavirus nucleoprotein (residues 19-406), RNA (6-MER)
Authors:Sugita, Y., Matsunami, H., Kawaoka, Y., Noda, T., Wolf, M.
Deposit date:2018-02-05
Release date:2018-10-24
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of the Ebola virus nucleoprotein-RNA complex at 3.6 angstrom resolution.
Nature, 563, 2018
6K3I
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SALMONELLA HOOK IN CURVED STATE - 66 SUBUNIT MODELS
Descriptor:Flagellar hook protein FlgE
Authors:Shibata, S., Matsunami, H., Wolf, M., Aizawa, S.
Deposit date:2019-05-19
Release date:2019-10-02
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Torque transmission mechanism of the curved bacterial flagellar hook revealed by cryo-EM.
Nat.Struct.Mol.Biol., 26, 2019
5JCJ
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NMT-H037 (COMPOUND 7)
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ACETATE ION, ...
Authors:Landi, G., Pozzi, C., Di Pisa, F., Dello Iacono, L., Mangani, S.
Deposit date:2016-04-15
Release date:2016-08-17
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5JCX
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NP-29
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, ...
Authors:Landi, G., Pozzi, C., Di Pisa, F., Dello Iacono, L., Mangani, S.
Deposit date:2016-04-15
Release date:2016-08-17
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5JDC
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NP-13 (HESPERETIN)
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ...
Authors:Mangani, S., Pozzi, C., Di Pisa, F., Landi, G., Dello Iacono, L.
Deposit date:2016-04-16
Release date:2016-08-17
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5JDI
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH COFACTOR AND INHIBITOR NMT-H024 (COMPOUND 2)
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ACETATE ION, ...
Authors:Landi, G., Pozzi, C., Di Pisa, F., Dello lacono, L., Mangani, S.
Deposit date:2016-04-16
Release date:2016-08-17
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
2YHI
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR WH16
Descriptor:PTERIDINE REDUCTASE, PUTATIVE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Nerini, E., Dawson, A., Hunter, W.N., Costi, M.P.
Deposit date:2011-05-03
Release date:2012-05-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
2YHU
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR WHF30
Descriptor:PTERIDINE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ...
Authors:Nerini, E., Dawson, A., Hunter, W.N., Costi, M.P.
Deposit date:2011-05-06
Release date:2012-05-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
4EEH
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN INHIBITOR 3-(4-HYDROXY-PHENYL)-1H-INDAZOL-6-OL
Descriptor:Heat shock protein HSP 90-alpha, 3-(4-hydroxyphenyl)-1H-indazol-6-ol, SULFATE ION
Authors:Musil, D., Lehmann, M., Graedler, U., Buchstaller, H.-P.
Deposit date:2012-03-28
Release date:2012-06-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90
Bioorg.Med.Chem.Lett., 22, 2012
4EFT
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN INHIBITOR 3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)-PROPIONITRILE
Descriptor:Heat shock protein HSP 90-alpha, (2R)-3-cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)propanenitrile
Authors:Musil, D., Lehmann, M., Graedler, U., Buchstaller, H.-P.
Deposit date:2012-03-30
Release date:2012-06-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90
Bioorg.Med.Chem.Lett., 22, 2012
4EFU
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN INHIBITOR 6-HYDROXY-3-(3-METHYL-BENZYL)-1H-INDAZOLE-5-CARBOXYLIC ACID BENZYL-METHYL-AMIDE
Descriptor:Heat shock protein HSP 90-alpha, N-benzyl-6-hydroxy-N-methyl-3-(3-methylbenzyl)-1H-indazole-5-carboxamide, SULFATE ION
Authors:Musil, D., Lehmann, M., Graedler, U., Buchstaller, H.-P.
Deposit date:2012-03-30
Release date:2012-06-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90
Bioorg.Med.Chem.Lett., 22, 2012
4WCD
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR 10
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C.
Deposit date:2014-09-04
Release date:2015-09-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
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169963
PDB entries from 2020-10-14