1YP7
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![BU of 1yp7 by Molmil](/molmil-images/mine/1yp7) | Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water | 分子名称: | CADMIUM ION, MAJOR URINARY PROTEIN 1 | 著者 | Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W. | 登録日 | 2005-01-30 | 公開日 | 2005-08-30 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water J.Am.Chem.Soc., 127, 2005
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1YP6
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![BU of 1yp6 by Molmil](/molmil-images/mine/1yp6) | Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water | 分子名称: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, CHLORIDE ION, ... | 著者 | Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W. | 登録日 | 2005-01-30 | 公開日 | 2005-08-30 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water J.Am.Chem.Soc., 127, 2005
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1ZSE
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![BU of 1zse by Molmil](/molmil-images/mine/1zse) | RNA stemloop from bacteriophage Qbeta complexed with an N87S mutant MS2 Capsid | 分子名称: | Coat protein, RNA HAIRPIN | 著者 | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | 登録日 | 2005-05-24 | 公開日 | 2006-05-09 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2 Structure, 14, 2006
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2B2E
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![BU of 2b2e by Molmil](/molmil-images/mine/2b2e) | RNA stemloop from bacteriophage MS2 complexed with an N87S,E89K mutant MS2 capsid | 分子名称: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein | 著者 | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | 登録日 | 2005-09-19 | 公開日 | 2006-05-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2 Structure, 14, 2006
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2B2D
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![BU of 2b2d by Molmil](/molmil-images/mine/2b2d) | RNA stemloop operator from bacteriophage QBETA complexed with an N87S,E89K mutant MS2 capsid | 分子名称: | 5'-R(*AP*UP*GP*CP*AP*UP*GP*UP*CP*UP*AP*AP*GP*AP*CP*AP*GP*CP*AP*U)-3', Coat protein | 著者 | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | 登録日 | 2005-09-19 | 公開日 | 2006-05-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2 Structure, 14, 2006
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2BS0
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![BU of 2bs0 by Molmil](/molmil-images/mine/2bs0) | MS2 (N87AE89K mutant) - Variant Qbeta RNA hairpin complex | 分子名称: | 5'-R(*AP*UP*GP*CP*AP*UP*GP*UP*CP*UP *AP*AP*GP*AP*CP*UP*GP*CP*AP*U)-3', COAT PROTEIN | 著者 | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | 登録日 | 2005-05-13 | 公開日 | 2006-03-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2. Structure, 14, 2006
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2BS1
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![BU of 2bs1 by Molmil](/molmil-images/mine/2bs1) | MS2 (N87AE89K mutant) - Qbeta RNA hairpin complex | 分子名称: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN | 著者 | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | 登録日 | 2005-05-13 | 公開日 | 2006-03-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2. Structure, 14, 2006
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2BNY
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![BU of 2bny by Molmil](/molmil-images/mine/2bny) | MS2 (N87A mutant) - RNA hairpin complex | 分子名称: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN | 著者 | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | 登録日 | 2005-04-06 | 公開日 | 2006-03-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2. Structure, 14, 2006
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2BQ5
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![BU of 2bq5 by Molmil](/molmil-images/mine/2bq5) | MS2 (N87AE89K mutant) - RNA hairpin complex | 分子名称: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', COAT PROTEIN | 著者 | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | 登録日 | 2005-04-27 | 公開日 | 2006-03-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2. Structure, 14, 2006
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2B2G
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![BU of 2b2g by Molmil](/molmil-images/mine/2b2g) | MS2 Wild-type RNA stemloop complexed with an N87S mutant MS2 capsid | 分子名称: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein | 著者 | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | 登録日 | 2005-09-19 | 公開日 | 2006-05-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2 Structure, 14, 2006
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1DYU
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![BU of 1dyu by Molmil](/molmil-images/mine/1dyu) | The active site base controls cofactor reactivity in Escherichia coli amine oxidase: X-ray crystallographic studies with mutational variants. | 分子名称: | CALCIUM ION, COPPER (II) ION, COPPER AMINE OXIDASE | 著者 | Murray, J.M, Wilmot, C.M, Saysell, C.G, Jaeger, J, Knowles, P.F, Phillips, S.E.V, McPherson, M.J. | 登録日 | 2000-02-08 | 公開日 | 2000-02-29 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographicstudies with Mutational Variants Biochemistry, 38, 1999
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5KE0
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![BU of 5ke0 by Molmil](/molmil-images/mine/5ke0) | Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | 分子名称: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Hruza, A, Lim, J. | 登録日 | 2016-06-09 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers. J.Med.Chem., 59, 2016
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8FRR
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![BU of 8frr by Molmil](/molmil-images/mine/8frr) | Wild-type myocilin olfactomedin domain | 分子名称: | CALCIUM ION, GLYCEROL, Myocilin, ... | 著者 | Ma, M.T, Lieberman, R.L, Huard, D.J.E. | 登録日 | 2023-01-08 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller. Nat Commun, 15, 2024
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4WXU
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![BU of 4wxu by Molmil](/molmil-images/mine/4wxu) | Crystal Structure of the Selenomthionine Incorporated Myocilin Olfactomedin Domain E396D Variant. | 分子名称: | CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | 著者 | Donegan, R.K, Freeman, D.M, Lieberman, R.L. | 登録日 | 2014-11-14 | 公開日 | 2015-04-01 | 実験手法 | X-RAY DIFFRACTION (2.092 Å) | 主引用文献 | Structural basis for misfolding in myocilin-associated glaucoma. Hum.Mol.Genet., 24, 2015
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4WXS
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![BU of 4wxs by Molmil](/molmil-images/mine/4wxs) | Crystal Structure of the E396D SNP Variant of the Myocilin Olfactomedin Domain | 分子名称: | CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | 著者 | Donegan, R.K, Freeman, D.M, Lieberman, R.L. | 登録日 | 2014-11-14 | 公開日 | 2015-04-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for misfolding in myocilin-associated glaucoma. Hum.Mol.Genet., 24, 2015
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4WXQ
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![BU of 4wxq by Molmil](/molmil-images/mine/4wxq) | Crystal Structure of the Myocilin Olfactomedin Domain | 分子名称: | CALCIUM ION, HEXAETHYLENE GLYCOL, Myocilin, ... | 著者 | Orwig, S.D, Turnage, K.C, Donegan, R.K, Lieberman, R.L. | 登録日 | 2014-11-14 | 公開日 | 2015-04-01 | 最終更新日 | 2017-09-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for misfolding in myocilin-associated glaucoma. Hum.Mol.Genet., 24, 2015
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6EG3
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![BU of 6eg3 by Molmil](/molmil-images/mine/6eg3) | Crystal structure of human BRM in complex with compound 15 | 分子名称: | 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid, ETHANOL, Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2 | 著者 | Zhu, X, Kulathila, R, Hu, T, Xie, X. | 登録日 | 2018-08-17 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. J. Med. Chem., 61, 2018
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6EG2
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![BU of 6eg2 by Molmil](/molmil-images/mine/6eg2) | Crystal structure of human BRM in complex with compound 16 | 分子名称: | ISOPROPYL ALCOHOL, Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2, N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea | 著者 | Zhu, X, Kulathila, R, Hu, T, Xie, X. | 登録日 | 2018-08-17 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. J. Med. Chem., 61, 2018
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6CEQ
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![BU of 6ceq by Molmil](/molmil-images/mine/6ceq) | |
5A4M
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![BU of 5a4m by Molmil](/molmil-images/mine/5a4m) | Mechanism of Hydrogen activation by NiFe-hydrogenases | 分子名称: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | 著者 | Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sergent, F, Carr, S.B, Philips, S.E.V, Armstrong, F.A. | 登録日 | 2015-06-10 | 公開日 | 2015-11-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mechanism of Hydrogen Activation by [Nife] Hydrogenases. Nat.Chem.Biol., 12, 2016
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5EJT
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![BU of 5ejt by Molmil](/molmil-images/mine/5ejt) | Thermally annealed ferryl Cytochrome C Peroxidase crystal structure | 分子名称: | Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... | 著者 | Doukov, T, Soltis, S.M, Baxter, E.L, Cohen, A, Song, J, McPhillips, S, Poulos, T.L, Meharenna, Y.T, Chreifi, G. | 登録日 | 2015-11-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EJX
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![BU of 5ejx by Molmil](/molmil-images/mine/5ejx) | X-ray Free Electron Laser Structure of Cytochrome C Peroxidase | 分子名称: | Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... | 著者 | Doukov, T, Soltis, S.M, Baxter, E.L, Cohen, A, Song, J, McPhillips, S, Poulos, T.L, Meharenna, Y.T, Chreifi, G. | 登録日 | 2015-11-02 | 公開日 | 2016-01-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer. Proc.Natl.Acad.Sci.USA, 113, 2016
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5LRY
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![BU of 5lry by Molmil](/molmil-images/mine/5lry) | E coli [NiFe] Hydrogenase Hyd-1 mutant E28D | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | 登録日 | 2016-08-22 | 公開日 | 2017-09-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J.Am.Chem.Soc., 140, 2018
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6NNA
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![BU of 6nna by Molmil](/molmil-images/mine/6nna) | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22 | 分子名称: | 1,2-ETHANEDIOL, Fatty acid synthase,Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Toms, A.V, Martin, M.W. | 登録日 | 2019-01-14 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN). Bioorg. Med. Chem. Lett., 29, 2019
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6APK
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![BU of 6apk by Molmil](/molmil-images/mine/6apk) | Trans-acting transferase from Disorazole synthase solved by serial femtosecond XFEL crystallography | 分子名称: | DisD protein | 著者 | Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Khosla, C, Soltis, S.M, Cohen, A.E. | 登録日 | 2017-08-17 | 公開日 | 2018-04-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography. Biochemistry, 56, 2017
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