5DHH
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![BU of 5dhh by Molmil](/molmil-images/mine/5dhh) | The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol, OLEIC ACID, ... | Authors: | Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2015-08-31 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor. Structure, 23, 2015
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5DHG
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![BU of 5dhg by Molmil](/molmil-images/mine/5dhg) | The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ... | Authors: | Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2015-08-30 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor. Structure, 23, 2015
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4M8T
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![BU of 4m8t by Molmil](/molmil-images/mine/4m8t) | |
4JG6
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![BU of 4jg6 by Molmil](/molmil-images/mine/4jg6) | RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide | Descriptor: | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | Deposit date: | 2013-02-28 | Release date: | 2013-04-10 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors. J.Am.Chem.Soc., 135, 2013
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4MAO
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![BU of 4mao by Molmil](/molmil-images/mine/4mao) | RSK2 T493M C-Terminal Kinase Domain in Complex with RMM58 | Descriptor: | (2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile, Ribosomal protein S6 kinase alpha-3, SODIUM ION | Authors: | Miller, R.M, Taunton, J. | Deposit date: | 2013-08-16 | Release date: | 2014-10-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design of reversible, cysteine-targeted Michael acceptors guided by kinetic and computational analysis. J.Am.Chem.Soc., 136, 2014
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4JG7
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![BU of 4jg7 by Molmil](/molmil-images/mine/4jg7) | Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide | Descriptor: | (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | Deposit date: | 2013-02-28 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.0002 Å) | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors. J.Am.Chem.Soc., 135, 2013
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4JG8
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![BU of 4jg8 by Molmil](/molmil-images/mine/4jg8) | Structure of RSK2 T493M CTD mutant bound to 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide | Descriptor: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-3 | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | Deposit date: | 2013-02-28 | Release date: | 2013-04-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1002 Å) | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors. J.Am.Chem.Soc., 135, 2013
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6RNB
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![BU of 6rnb by Molmil](/molmil-images/mine/6rnb) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 50ms diffusion time | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6RNC
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![BU of 6rnc by Molmil](/molmil-images/mine/6rnc) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 - 100ms diffusion time. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6RNF
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![BU of 6rnf by Molmil](/molmil-images/mine/6rnf) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 30 ms timepoint | Descriptor: | MAGNESIUM ION, Xylose isomerase, alpha-D-glucopyranose | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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7NJJ
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![BU of 7njj by Molmil](/molmil-images/mine/7njj) | Proteinase K grown inside HARE serial crystallography chip | Descriptor: | NITRATE ION, Proteinase K | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip. Acta Crystallogr D Struct Biol, 77, 2021
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7NJE
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![BU of 7nje by Molmil](/molmil-images/mine/7nje) | gamma(S)-crystallin 9-site deamidation mutant grown inside HARE serial crystallography chip | Descriptor: | Gamma-crystallin S | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip. Acta Crystallogr D Struct Biol, 77, 2021
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7NJH
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![BU of 7njh by Molmil](/molmil-images/mine/7njh) | HEX1 (in cellulo) grown inside HARE serial crystallography chip | Descriptor: | Woronin body major protein | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip. Acta Crystallogr D Struct Biol, 77, 2021
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7NJF
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![BU of 7njf by Molmil](/molmil-images/mine/7njf) | Hen egg white lysozyme (HEWL) grown inside HARE serial crystallography chip | Descriptor: | Lysozyme, SODIUM ION | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip. Acta Crystallogr D Struct Biol, 77, 2021
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7NKF
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![BU of 7nkf by Molmil](/molmil-images/mine/7nkf) | Hen egg white lysozyme (HEWL) Grown inside (Not centrifuged) HARE serial crystallography chip. | Descriptor: | Lysozyme, SODIUM ION | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | Deposit date: | 2021-02-17 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip. Acta Crystallogr D Struct Biol, 77, 2021
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7NJG
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![BU of 7njg by Molmil](/molmil-images/mine/7njg) | Xylose isomerase grown inside HARE serial crystallography chip | Descriptor: | COBALT (II) ION, Xylose isomerase | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip. Acta Crystallogr D Struct Biol, 77, 2021
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7NJI
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![BU of 7nji by Molmil](/molmil-images/mine/7nji) | HEX1 (in cellulo) loaded on HARE serial crystallography chip | Descriptor: | Woronin body major protein | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip. Acta Crystallogr D Struct Biol, 77, 2021
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5JOM
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![BU of 5jom by Molmil](/molmil-images/mine/5jom) | X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D. | Deposit date: | 2016-05-02 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography. Acta Crystallogr D Struct Biol, 72, 2016
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4X80
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![BU of 4x80 by Molmil](/molmil-images/mine/4x80) | Crystal Structure of murine 7B4 Fab monoclonal antibody against ADAMTS5 | Descriptor: | IgG1 7B4 FAB Heavy chain, IgG1 7B4 FAB Light Chain | Authors: | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | Deposit date: | 2014-12-09 | Release date: | 2015-04-08 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification. Osteoarthr. Cartil., 23, 2015
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4X8J
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![BU of 4x8j by Molmil](/molmil-images/mine/4x8j) | Crystal Structure of murine 12F4 Fab monoclonal antibody against ADAMTS5 | Descriptor: | 12F4 FAB Heavy chain, 12F4 FAB Light chain, NONAETHYLENE GLYCOL, ... | Authors: | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | Deposit date: | 2014-12-10 | Release date: | 2015-04-08 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification. Osteoarthr. Cartil., 23, 2015
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6RND
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![BU of 6rnd by Molmil](/molmil-images/mine/6rnd) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 15 ms timepoint | Descriptor: | MAGNESIUM ION, Xylose isomerase, alpha-D-glucopyranose | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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4D9T
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![BU of 4d9t by Molmil](/molmil-images/mine/4d9t) | Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | Descriptor: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate | Authors: | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | Deposit date: | 2012-01-12 | Release date: | 2012-04-25 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Nat.Chem.Biol., 8, 2012
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4D9U
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![BU of 4d9u by Molmil](/molmil-images/mine/4d9u) | Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | Descriptor: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate | Authors: | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | Deposit date: | 2012-01-12 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Nat.Chem.Biol., 8, 2012
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6GXT
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![BU of 6gxt by Molmil](/molmil-images/mine/6gxt) | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD2052MS after reaction initiation | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | Deposit date: | 2018-06-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nat. Methods, 15, 2018
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6GXH
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![BU of 6gxh by Molmil](/molmil-images/mine/6gxh) | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD 0MS after reaction initiation | Descriptor: | Fluoroacetate dehalogenase | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | Deposit date: | 2018-06-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nat. Methods, 15, 2018
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