Author results

4CMZ
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AN INTERTWINED HOMODIMER OF THE PDZ HOMOLOGY DOMAIN OF PERIAXIN
Descriptor:PERIAXIN
Authors:Han, H., Kursula, P.
Deposit date:2014-01-20
Release date:2014-04-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Periaxin and Ahnak Nucleoprotein 2 Form Intertwined Homodimers Through Domain Swapping
J.Biol.Chem., 289, 2014
4CN0
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AN INTERTWINED HOMODIMER OF THE PDZ HOMOLOGY DOMAIN OF AHNAK2
Descriptor:PROTEIN AHNAK2, TETRAETHYLENE GLYCOL, POTASSIUM ION
Authors:Han, H., Kursula, P.
Deposit date:2014-01-20
Release date:2014-04-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Periaxin and Ahnak Nucleoprotein 2 Form Intertwined Homodimers Through Domain Swapping
J.Biol.Chem., 289, 2014
4D77
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HIGH-RESOLUTION STRUCTURE OF THE EXTRACELLULAR OLFACTOMEDIN DOMAIN FROM GLIOMEDIN
Descriptor:GLIOMEDIN, SODIUM ION, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Han, H., Kursula, P.
Deposit date:2014-11-20
Release date:2014-12-24
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:The Olfactomedin Domain from Gliomedin is a Beta-Propeller with Unique Structural Properties.
J.Biol.Chem., 290, 2015
4D7C
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MONOCLINIC CRYSTAL FORM OF THE EXTRACELLULAR OLFACTOMEDIN DOMAIN FROM GLIOMEDIN
Descriptor:GLIOMEDIN, SODIUM ION
Authors:Han, H., Kursula, P.
Deposit date:2014-11-21
Release date:2014-12-24
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Olfactomedin Domain from Gliomedin is a Beta-Propeller with Unique Structural Properties.
J.Biol.Chem., 290, 2015
6AP1
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VPS4P-VTA1P COMPLEX WITH PEPTIDE BINDING TO THE CENTRAL PORE OF VPS4P
Descriptor:Vacuolar protein sorting-associated protein 4,Protein hcp1, ACE-ASP-GLU-ILE-VAL-ASN-LYS-VAL-LEU-NH2, Vacuolar protein sorting-associated protein VTA1, ...
Authors:Han, H., Monroe, N., Shen, P., Sundquist, W.I., Hill, C.P.
Deposit date:2017-08-16
Release date:2017-12-06
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Elife, 6, 2017
6BMF
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VPS4P-VTA1P COMPLEX WITH PEPTIDE BINDING TO THE CENTRAL PORE OF VPS4P
Descriptor:Vacuolar protein sorting-associated protein 4, Vps2p, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Han, H., Monroe, N., Shen, P., Sundquist, W.I., Hill, C.P.
Deposit date:2017-11-14
Release date:2017-12-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Elife, 6, 2017
6NDY
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VPS4 WITH CYCLIC PEPTIDE BOUND IN THE CENTRAL PORE
Descriptor:Vacuolar protein sorting-associated protein 4, Designed Cyclic Peptide, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Han, H., Fulcher, J.M., Dandey, V.P., Sundquist, W.I., Kay, M.S., Shen, P., Hill, C.P.
Deposit date:2018-12-14
Release date:2019-08-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases.
Elife, 8, 2019
6OO2
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VPS4 WITH CYCLIC PEPTIDE BOUND IN THE CENTRAL PORE
Descriptor:Vacuolar protein sorting-associated protein 4, Designed Cyclic Peptide, Vacuolar protein sorting-associated protein VTA1, ...
Authors:Han, H., Fulcher, J.M., Dandey, V.P., Sundquist, W.I., Kay, M.S., Shen, P., Hill, C.P.
Deposit date:2019-04-22
Release date:2019-08-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases.
Elife, 8, 2019
6PEK
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STRUCTURE OF SPASTIN HEXAMER (SUBUNIT A-E) IN COMPLEX WITH SUBSTRATE PEPTIDE
Descriptor:Spastin, substrate peptide, TYR-GLU-TYR-GLU-TYR-GLU-TYR-GLU, ...
Authors:Han, H., Schubert, H.L., McCullough, J., Monroe, N., Sundquist, W.I., Hill, C.P.
Deposit date:2019-06-20
Release date:2019-12-04
Last modified:2020-01-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of spastin bound to a glutamate-rich peptide implies a hand-over-hand mechanism of substrate translocation.
J.Biol.Chem., 295, 2020
6PEN
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STRUCTURE OF SPASTIN HEXAMER (WHOLE MODEL) IN COMPLEX WITH SUBSTRATE PEPTIDE
Descriptor:Spastin, EYEYEYEYEY, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Han, H., Schubert, H.L., McCullough, J., Monroe, N., Sundquist, W.I., Hill, C.P.
Deposit date:2019-06-20
Release date:2019-12-04
Last modified:2020-01-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of spastin bound to a glutamate-rich peptide implies a hand-over-hand mechanism of substrate translocation.
J.Biol.Chem., 295, 2020
2QDX
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P.AERUGINOSA FPR WITH FAD
Descriptor:Ferredoxin reductase, SULFATE ION, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Han, H., Schonbrunn, E.
Deposit date:2007-06-21
Release date:2007-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and Structural Characterization of Pseudomonas aeruginosa Bfd and FPR: Ferredoxin NADP(+) Reductase and Not Ferredoxin Is the Redox Partner of Heme Oxygenase under Iron-Starvation Conditions
Biochemistry, 46, 2007
3CRZ
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FERREDOXIN-NADP REDUCTASE
Descriptor:Ferredoxin--NADP+ reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Han, H., Schonbrunn, E.
Deposit date:2008-04-08
Release date:2008-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystallographic and solution state nuclear magnetic resonance spectroscopic investigations of NADP+ binding to ferredoxin NADP reductase from Pseudomonas aeruginosa
Biochemistry, 47, 2008
3PXY
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CDK2 IN COMPLEX WITH INHIBITOR JWS648
Descriptor:Cell division protein kinase 2, 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, PHOSPHATE ION
Authors:Han, H., Betzi, S., Alam, R., Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3SWA
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E. CLOACAE MURA R120A COMPLEX WITH UNAG AND COVALENT ADDUCT OF PEP WITH CYS115
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, 1,2-ETHANEDIOL, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Han, H., Zhu, J.-Y., Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-07
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
4EII
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UNLIGANDED E. CLOACAE R91K MURA
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, GLYCEROL, 1,2-ETHANEDIOL, ...
Authors:Han, H., Zhu, J.-Y., Schonbrunn, E.
Deposit date:2012-04-05
Release date:2013-04-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Open-close transition of MurA
To be Published
4LCB
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STRUCTURE OF VPS4 HOMOLOG FROM ACIDIANUS HOSPITALIS
Descriptor:Cell division protein CdvC, Vps4, CHLORIDE ION
Authors:Han, H., Hill, C.P., Whitby, F.G., Monroe, N.
Deposit date:2013-06-21
Release date:2013-11-06
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The Oligomeric State of the Active Vps4 AAA ATPase.
J.Mol.Biol., 426, 2014
4LGM
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CRYSTAL STRUCTURE OF SULFOLOBUS SOLFATARICUS VPS4
Descriptor:Vps4 AAA ATPase, CHLORIDE ION
Authors:Han, H., Hill, C.P., Whitby, F.G., Monroe, N.
Deposit date:2013-06-28
Release date:2013-11-06
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:The Oligomeric State of the Active Vps4 AAA ATPase.
J.Mol.Biol., 426, 2014
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
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:2020-05-20
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
2PQ9
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E. COLI EPSPS LIGANDED WITH (R)-DIFLUOROMETHYL TETRAHEDRAL REACTION INTERMEDIATE ANALOG
Descriptor:3-phosphoshikimate 1-carboxyvinyltransferase, (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, FORMIC ACID
Authors:Healy-Fried, M.L., Funke, T., Han, H., Schonbrunn, E.
Deposit date:2007-05-01
Release date:2008-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
2PQB
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CP4 EPSPS LIGANDED WITH (R)-DIFLUOROMETHYL TETRAHEDRAL INTERMEDIATE ANALOG
Descriptor:3-phosphoshikimate 1-carboxyvinyltransferase, (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
Authors:Healy-Fried, M.L., Funke, T., Han, H., Schonbrunn, E.
Deposit date:2007-05-01
Release date:2008-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
2PQC
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CP4 EPSPS LIGANDED WITH (R)-PHOSPHONATE TETRAHEDRAL REACTION INTERMEDIATE ANALOG
Descriptor:3-phosphoshikimate 1-carboxyvinyltransferase, [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
Authors:Healy-Fried, M.L., Funke, T., Han, H., Schonbrunn, E.
Deposit date:2007-05-01
Release date:2008-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
2PQD
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A100G CP4 EPSPS LIGANDED WITH (R)-DIFLUOROMETHYL TETRAHEDRAL REACTION INTERMEDIATE ANALOG
Descriptor:3-phosphoshikimate 1-carboxyvinyltransferase, (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
Authors:Healy-Fried, M.L., Funke, T., Han, H., Schonbrunn, E.
Deposit date:2007-05-01
Release date:2008-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007