1MPX
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![BU of 1mpx by Molmil](/molmil-images/mine/1mpx) | ALPHA-AMINO ACID ESTER HYDROLASE LABELED WITH SELENOMETHIONINE | Descriptor: | CALCIUM ION, GLYCEROL, alpha-amino acid ester hydrolase | Authors: | Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Hensgens, C.M.H, de Vries, E.J, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2002-09-13 | Release date: | 2003-04-15 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The sequence and crystal structure of the alpha-amino acid ester hydrolase from Xanthomonas citri define a new family of beta-lactam antibiotic acylases. J.Biol.Chem., 278, 2003
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2B9V
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![BU of 2b9v by Molmil](/molmil-images/mine/2b9v) | Acetobacter turbidans alpha-amino acid ester hydrolase | Descriptor: | Alpha-amino acid ester hydrolase | Authors: | Barends, T.R.M. | Deposit date: | 2005-10-13 | Release date: | 2005-12-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acetobacter turbidans alpha-amino acid ester hydrolase: how a single mutation improves an antibiotic-producing enzyme. J.Biol.Chem., 281, 2006
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2B4K
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![BU of 2b4k by Molmil](/molmil-images/mine/2b4k) | Acetobacter turbidans alpha-amino acid ester hydrolase complexed with phenylglycine | Descriptor: | Alpha-amino acid ester hydrolase, D-PHENYLGLYCINE, GLYCEROL | Authors: | Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Williams, C, Wybenga, G, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2005-09-26 | Release date: | 2005-12-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Acetobacter turbidans alpha-amino acid ester hydrolase: how a single mutation improves an antibiotic-producing enzyme. J.Biol.Chem., 281, 2006
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5CNC
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![BU of 5cnc by Molmil](/molmil-images/mine/5cnc) | Ultrafast dynamics in myoglobin: 0.6 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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3CEP
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![BU of 3cep by Molmil](/molmil-images/mine/3cep) | Structure of a tryptophan synthase quinonoid intermediate | Descriptor: | 3-hydroxy-2-iminopropanoic acid, CESIUM ION, INDOLINE, ... | Authors: | Barends, T.R.M, Domratcheva, T, Kulik, V, Blumenstein, L, Dunn, M.F, Schlichting, I. | Deposit date: | 2008-02-29 | Release date: | 2008-04-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and mechanistic implications of a tryptophan synthase quinonoid intermediate. Chembiochem, 9, 2008
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4J80
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![BU of 4j80 by Molmil](/molmil-images/mine/4j80) | Thermus thermophilus DnaJ | Descriptor: | Chaperone protein DnaJ 2 | Authors: | Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J. | Deposit date: | 2013-02-14 | Release date: | 2013-07-31 | Last modified: | 2013-10-09 | Method: | EPR (2.9 Å), X-RAY DIFFRACTION | Cite: | Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ. Acta Crystallogr.,Sect.D, 69, 2013
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4J7Z
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![BU of 4j7z by Molmil](/molmil-images/mine/4j7z) | Thermus thermophilus DNAJ J- and G/F-DOMAINS | Descriptor: | Chaperone protein DnaJ 2, GLYCEROL | Authors: | Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J. | Deposit date: | 2013-02-14 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | EPR (1.64 Å), X-RAY DIFFRACTION | Cite: | Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ. Acta Crystallogr.,Sect.D, 69, 2013
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2OWW
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![BU of 2oww by Molmil](/molmil-images/mine/2oww) | Covalent intermediate in amylomaltase in complex with the acceptor analog 4-deoxyglucose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-alpha-glucanotransferase, 4-deoxy-alpha-D-glucopyranose, ... | Authors: | Barends, T.R.M, Bultema, J.B, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W. | Deposit date: | 2007-02-17 | Release date: | 2007-04-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase. J.Biol.Chem., 282, 2007
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2OWC
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![BU of 2owc by Molmil](/molmil-images/mine/2owc) | Structure of a covalent intermediate in Thermus thermophilus amylomaltase | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-alpha-glucanotransferase, GLYCEROL, ... | Authors: | Barends, T.R.M, Bultema, J.B, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W. | Deposit date: | 2007-02-16 | Release date: | 2007-04-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase. J.Biol.Chem., 282, 2007
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2OWX
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![BU of 2owx by Molmil](/molmil-images/mine/2owx) | THERMUS THERMOPHILUS AMYLOMALTASE AT pH 5.6 | Descriptor: | 4-alpha-glucanotransferase, GLYCEROL, MALONATE ION | Authors: | Barends, T.R.M, Kaper, T, Bultema, J.J, Dijkhuizen, L, van der Maarel, J.E.C, Dijkstra, B.W. | Deposit date: | 2007-02-17 | Release date: | 2007-04-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase. J.Biol.Chem., 282, 2007
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4N5R
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![BU of 4n5r by Molmil](/molmil-images/mine/4n5r) | Hen egg-white lysozyme phased using free-electron laser data | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C | Authors: | Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I. | Deposit date: | 2013-10-10 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | De novo protein crystal structure determination from X-ray free-electron laser data. Nature, 505, 2014
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5CMV
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![BU of 5cmv by Molmil](/molmil-images/mine/5cmv) | Ultrafast dynamics in myoglobin: dark-state, CO-ligated structure | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CND
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![BU of 5cnd by Molmil](/molmil-images/mine/5cnd) | Ultrafast dynamics in myoglobin: 3 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CN5
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![BU of 5cn5 by Molmil](/molmil-images/mine/5cn5) | Ultrafast dynamics in myoglobin: 0 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CN8
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![BU of 5cn8 by Molmil](/molmil-images/mine/5cn8) | Ultrafast dynamics in myoglobin: 0.3 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CNF
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![BU of 5cnf by Molmil](/molmil-images/mine/5cnf) | Ultrafast dynamics in myoglobin: 50 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CN7
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![BU of 5cn7 by Molmil](/molmil-images/mine/5cn7) | Ultrafast dynamics in myoglobin: 0.2 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CNE
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![BU of 5cne by Molmil](/molmil-images/mine/5cne) | Ultrafast dynamics in myoglobin: 10 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CN6
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![BU of 5cn6 by Molmil](/molmil-images/mine/5cn6) | Ultrafast dynamics in myoglobin: 0.1 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CNB
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![BU of 5cnb by Molmil](/molmil-images/mine/5cnb) | Ultrafast dynamics in myoglobin: 0.5 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CNG
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![BU of 5cng by Molmil](/molmil-images/mine/5cng) | ultrafast dynamics in myoglobin: 150 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M, 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: | 2024-01-10 | 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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5CN9
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![BU of 5cn9 by Molmil](/molmil-images/mine/5cn9) | Ultrafast dynamics in myoglobin: 0.4 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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5CN4
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![BU of 5cn4 by Molmil](/molmil-images/mine/5cn4) | Ultrafast dynamics in myoglobin: -0.1 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 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: | 2024-01-10 | 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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1TZ7
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![BU of 1tz7 by Molmil](/molmil-images/mine/1tz7) | Aquifex aeolicus amylomaltase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-alpha-glucanotransferase | Authors: | Barends, T.R.M, Korf, H, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W. | Deposit date: | 2004-07-09 | Release date: | 2005-08-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural influences on product specificity in amylomaltase from Aquifex aeolicus TO BE PUBLISHED
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1NX9
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![BU of 1nx9 by Molmil](/molmil-images/mine/1nx9) | Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin | Descriptor: | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, GLYCEROL, alpha-amino acid ester hydrolase | Authors: | Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2003-02-10 | Release date: | 2004-03-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME. J.Biol.Chem., 281, 2006
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