Author results

1ZUA
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CRYSTAL STRUCTURE OF AKR1B10 COMPLEXED WITH NADP+ AND TOLRESTAT
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT
Authors:Gallego, O., Ruiz, F.X., Ardevol, A., Dominguez, M., Alvarez, R., de Lera, A.R., Rovira, C., Farres, J., Fita, I., Pares, X.
Deposit date:2005-05-30
Release date:2006-11-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10.
Proc.Natl.Acad.Sci.USA, 104, 2007
2WVS
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CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 TRAPPED COVALENT INTERMEDIATE FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH 2- FLUORO-FUCOSYL FLUORIDE USING AN E288Q MUTANT
Descriptor:ALPHA-L-FUCOSIDASE, 2-DEOXY-2-FLUORO-BETA-L-FUCOPYRANOSE, SULFATE ION
Authors:Lammerts van Bueren, A., Ardevol, A., Fayers-Kerr, J., Luo, B., Zhang, Y., Sollogoub, M., Bleriot, Y., Rovira, C., Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
2WVT
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CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH A NOVEL IMINOSUGAR FUCOSIDASE INHIBITOR
Descriptor:ALPHA-L-FUCOSIDASE, (2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM, GLYCEROL, ...
Authors:Lammerts van Bueren, A., Ardevol, A., Fayers-Kerr, J., Luo, B., Zhang, Y., Sollogoub, M., Bleriot, Y., Rovira, C., Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach.
J.Am.Chem.Soc., 132, 2010
2WVU
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CRYSTAL STRUCTURE OF A MICHAELIS COMPLEX OF ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON WITH THE SYNTHETIC SUBSTRATE 4- NITROPHENYL-ALPHA-L-FUCOSE
Descriptor:ALPHA-L-FUCOSIDASE, SULFATE ION, 4-nitrophenyl-alpha-L-fucose
Authors:Lammerts van Bueren, A., Ardevol, A., Fayers-Kerr, J., Luo, B., Zhang, Y., Sollogoub, M., Bleriot, Y., Rovira, C., Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
2WVV
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CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON
Descriptor:ALPHA-L-FUCOSIDASE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
Authors:Lammerts van Bueren, A., Ardevol, A., Fayers-Kerr, J., Luo, B., Zhang, Y., Sollogoub, M., Bleriot, Y., Rovira, C., Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
4AYO
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AYP
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31 IN COMPLEX WITH THIOMANNOBIOSIDE
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AYQ
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31 IN COMPLEX WITH MANNOIMIDAZOLE
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AYR
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STRUCTURE OF THE GH47 PROCESSING ALPHA-1,2-MANNOSIDASE FROM CAULOBACTER STRAIN K31 IN COMPLEX WITH NOEUROMYCIN
Descriptor:MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Thompson, A.J., Dabin, J., Iglesias-Fernandez, J., Iglesias-Fernandez, A., Dinev, Z., Williams, S.J., Siriwardena, A., Moreland, C., Hu, T.C., Smith, D.K., Gilbert, H.J., Rovira, C., Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4GOH
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STRUCTURE OF THE SUBSTRATE-FREE HMUO, HO FROM CORYNEBACTERIUM DIPHTHERIAE
Descriptor:Heme oxygenase, GLYCEROL, SODIUM ION
Authors:Unno, M., Ikeda-Saito, M.
Deposit date:2012-08-20
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
4GPC
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STRUCTURE OF THE BILIVERDIN-HMUO, HEME OXYGENASE FROM CORYNEBACTERIUM DIPHTHERIAE
Descriptor:Heme oxygenase, BILIVERDINE IX ALPHA, SULFATE ION, ...
Authors:Unno, M., Ikeda-Saito, M.
Deposit date:2012-08-20
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
4GPF
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STRUCTURE OF THE FE3+-BILIVERDIN-HMUO, HEME OXYGENASE FROM CORYNEBACTERIUM DIPHTHERIAE (DATA SET III)
Descriptor:Heme oxygenase, BILIVERDINE IX ALPHA, FE (III) ION, ...
Authors:Unno, M., Ikeda-Saito, M.
Deposit date:2012-08-20
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
4GPH
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STRUCTURE OF HMUO, HEME OXYGENASE FROM CORYNEBACTERIUM DIPHTHERIAE, IN COMPLEX WITH THE PUTATIVE REACTION INTERMEDIATES BETWEEN FE3+-BILIVERDIN AND BILIVERDIN (DATA SET IV)
Descriptor:Heme oxygenase, FE (III) ION, BILIVERDINE IX ALPHA, ...
Authors:Unno, M., Ikeda-Saito, M.
Deposit date:2012-08-21
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
5CMV
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ULTRAFAST DYNAMICS IN MYOGLOBIN: DARK-STATE, CO-LIGATED STRUCTURE
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CN4
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ULTRAFAST DYNAMICS IN MYOGLOBIN: -0.1 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CN5
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 0 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CN6
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 0.1 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CN7
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 0.2 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CN8
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 0.3 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CN9
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 0.4 PS TIME DELAY
Descriptor:Myoglobin, SULFATE ION, CARBON MONOXIDE, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CNB
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 0.5 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CNC
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 0.6 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CND
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 3 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CNE
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 10 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CNF
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ULTRAFAST DYNAMICS IN MYOGLOBIN: 50 PS TIME DELAY
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Barends, T.R.M., Foucar, L., Ardevol, A., Nass, K.J., Aquila, A., Botha, S., Doak, R.B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M.C., Koefinger, J., Koglin, J., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H.T., Reinstein, J., Roome, C.M., Shoeman, R.L., Williams, G.J., Burghardt, I., Hummer, G., Boutet, S., Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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