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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5CO2
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4N4K
 | | Kuenenia stuttgartiensis hydroxylamine oxidoreductase soaked in hydroxylamine | | Descriptor: | 1,2-ETHANEDIOL, HEME C, HYDROXYAMINE, ... | | Authors: | Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B. | | Deposit date: | 2013-10-08 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
J.Biol.Chem., 289, 2014
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5CNY
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4N4J
 | | Kuenenia stuttgartiensis hydroxylamine oxidoreductase | | Descriptor: | 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol, HEME C, PHOSPHATE ION, ... | | Authors: | Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B. | | Deposit date: | 2013-10-08 | | Release date: | 2013-12-11 | | Last modified: | 2020-03-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
J.Biol.Chem., 289, 2014
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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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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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4N4O
 | | Nitrosomonas europea HAO soaked in NH2OH | | Descriptor: | DODECAETHYLENE GLYCOL, HEME C, HYDROXYAMINE, ... | | Authors: | Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B. | | Deposit date: | 2013-10-08 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.472 Å) | | Cite: | Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
J.Biol.Chem., 289, 2014
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4LJ5
 | | ClpB NBD2 from T. thermophilus in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB | | Authors: | Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-07-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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4ZVA
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4N4N
 | | Nitrosomonas europea HAO | | Descriptor: | HEME C, Hydroxylamine oxidoreductase, PHOSPHATE ION, ... | | Authors: | Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B. | | Deposit date: | 2013-10-08 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
J.Biol.Chem., 289, 2014
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4LJA
 | | ClpB NBD2 R621Q from T. thermophilus in complex with AMPPCP and guanidinium chloride | | Descriptor: | Chaperone protein ClpB, GUANIDINE, MAGNESIUM ION, ... | | Authors: | Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-07-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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4LJ8
 | | ClpB NBD2 R621Q from T. thermophilus in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB | | Authors: | Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-07-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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4N4M
 | | Kuenenia stuttgartiensis hydroxylamine oxidoreductase soaked in phenyl hydrazine | | Descriptor: | 1,2-ETHANEDIOL, 1-PHENYLHYDRAZINE, HEME C, ... | | Authors: | Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B. | | Deposit date: | 2013-10-08 | | Release date: | 2013-12-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
J.Biol.Chem., 289, 2014
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4N4Z
 | | Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L. | | Deposit date: | 2013-10-08 | | Release date: | 2014-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Serial crystallography on in vivo grown microcrystals using synchrotron radiation.
IUCrJ, 1, 2014
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4LJ4
 | | ClpB NBD2 from T. thermophilus, nucleotide-free | | Descriptor: | Chaperone protein ClpB, PHOSPHATE ION | | Authors: | Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-07-04 | | Release date: | 2014-02-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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4LJ7
 | | ClpB NBD2 K601Q from T. thermophilus in complex with MANT-dADP | | Descriptor: | 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHATE ION | | Authors: | Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-07-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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4LJ6
 | | ClpB NBD2 from T. thermophilus in complex with AMPPCP | | Descriptor: | Chaperone protein ClpB, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-07-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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4LJ9
 | | ClpB NBD2 R621Q from T. thermophilus in complex with AMPPCP | | Descriptor: | Chaperone protein ClpB, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-07-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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4MAE
 | | Methanol dehydrogenase from Methylacidiphilum fumariolicum SolV | | Descriptor: | CERIUM (III) ION, Methanol dehydrogenase, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Pol, A.J, Barends, T.R.M, Dietl, A, Khadem, A.F, Eygenstein, J, Jetten, M.S.M, Op den Camp, H.J.M. | | Deposit date: | 2013-08-16 | | Release date: | 2013-09-18 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rare earth metals are essential for methanotrophic life in volcanic mudpots.
ENVIRON.MICROBIOL., 16, 2014
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4N4L
 | | Kuenenia stuttgartiensis hydroxylamine oxidoreductase soaked in hydrazine | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol, HEME C, ... | | Authors: | Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B. | | Deposit date: | 2013-10-08 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
J.Biol.Chem., 289, 2014
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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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4NXQ
 | | Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Caspr4 Peptide | | Descriptor: | Contactin-associated protein-like 4 peptide, T-lymphoma invasion and metastasis-inducing protein 1 | | Authors: | Liu, X, Speckhard, D.C, Shepherd, T.R, Hengel, S.R, Fuentes, E.J. | | Deposit date: | 2013-12-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions.
Structure, 24, 2016
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5C6L
 | | Crystal Structure of Gadolinium derivative of HEWL solved using intense Free-Electron Laser radiation | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N. | | Deposit date: | 2015-06-23 | | Release date: | 2015-07-08 | | Last modified: | 2018-11-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
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4M17
 | | Crystal Structure of Surfactant Protein-D D325A/R343V mutant | | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D | | Authors: | Goh, B.C, Rynkiewicz, M.J, Cafarella, T.R, White, M.R, Hartshorn, K.L, Allen, K, Crouch, E.C, Calin, O, Seeberger, P.H, Schulten, K, Seaton, B.A. | | Deposit date: | 2013-08-02 | | Release date: | 2013-12-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation.
Biochemistry, 52, 2013
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