5WHW
 
 | | Using sound pulses to solve the crystal harvesting bottleneck | | Descriptor: | 1,2-ETHANEDIOL, BICINE, CALCIUM ION, ... | | Authors: | Soares, A.S, Brennan, H.M, Natarajan, R, McCarthy, L, Leroy, L. | | Deposit date: | 2017-07-18 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
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5WJH
 | | Using sound pulses to solve the crystal harvesting bottleneck | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CALCIUM ION, Proteinase K | | Authors: | Soares, A.S, Brennan, H.M, McCarthy, L, Leroy, L. | | Deposit date: | 2017-07-22 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
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5WJG
 | | Using sound pulses to solve the crystal harvesting bottleneck | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, L(+)-TARTARIC ACID, ... | | Authors: | Soares, A.S, Brennan, H.M, McCarthy, L, Leroy, L. | | Deposit date: | 2017-07-22 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
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8DCT
 | | Lysozyme cluster 3 dual apo structure | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | | Deposit date: | 2022-06-17 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
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8DCW
 | | Lysozyme cluster 0062 (NAG and benzamidine ligands) | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | | Deposit date: | 2022-06-17 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
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8DCU
 | | Lysozyme cluster 0028 (benzamidine ligand) | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | | Deposit date: | 2022-06-17 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
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8DCV
 | | Lysozyme cluster 0043, NAG ligand | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | | Deposit date: | 2022-06-17 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
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3RTO
 | | Acoustically mounted porcine insulin microcrystals yield an X-ray SAD structure | | Descriptor: | Insulin, ZINC ION | | Authors: | Soares, A.S, Engel, M.A, Stearns, R, Datwani, S, Olechno, J, Ellson, R, Skinner, J.M, Allaire, M, Orville, A.M. | | Deposit date: | 2011-05-03 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Acoustically Mounted Microcrystals Yield High-Resolution X-ray Structures.
Biochemistry, 50, 2011
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7MGU
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4WWY
 | | human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor | | Descriptor: | CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ... | | Authors: | Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S. | | Deposit date: | 2014-11-12 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates.
J.Biol.Chem., 290, 2015
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4WXV
 | | Human cationic trypsin K97D mutant in complex with bovine pancreatic trypsin inhibitor (BPTI) | | Descriptor: | CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ... | | Authors: | Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S. | | Deposit date: | 2014-11-14 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates.
J.Biol.Chem., 290, 2015
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4M65
 | | In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand | | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ... | | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | Deposit date: | 2013-08-08 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Hitting the target: fragment screening with acoustic in situ
co-crystallization of proteins plus fragment libraries on
pin-mounted data-collection micromeshes
Acta Crystallogr.,Sect.D, D70
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4NCY
 | | In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand | | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | Deposit date: | 2013-10-25 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
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4N8Z
 | | In situ lysozyme crystallized on a MiTeGen micromesh with benzamidine ligand | | Descriptor: | BENZAMIDINE, CHLORIDE ION, Lysozyme C, ... | | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | Deposit date: | 2013-10-18 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
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4P2E
 | | Acoustic transfer of protein crystals from agar pedestals to micromeshes for high throughput screening of heavy atom derivatives | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Lysozyme C, ... | | Authors: | Cuttitta, C.M, Roessler, C.G, Ericson, D.L, Scalia, A, Teplitsky, E, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Sweet, R.M, Soares, A.S. | | Deposit date: | 2014-03-03 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Acoustic transfer of protein crystals from agarose pedestals to micromeshes for high-throughput screening.
Acta Crystallogr.,Sect.D, 71, 2015
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8G83
 | | Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain | | Descriptor: | NAD(+) hydrolase AbTIR | | Authors: | Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A. | | Deposit date: | 2023-02-17 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
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5F81
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2015-12-08 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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5HL4
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2016-01-14 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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5HQD
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | | Authors: | Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2016-01-21 | | Release date: | 2016-02-10 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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5JBT
 | | Mesotrypsin in complex with cleaved amyloid precursor like protein 2 inhibitor (APLP2) | | Descriptor: | Amyloid-like protein 2, CALCIUM ION, PRSS3 protein, ... | | Authors: | Kayode, O, Wang, R, Pendlebury, D, Soares, A, Radisky, E.S. | | Deposit date: | 2016-04-13 | | Release date: | 2016-11-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis.
J. Biol. Chem., 291, 2016
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4TVT
 | | New ligand for thaumatin discovered using acoustic high throughput screening | | Descriptor: | ASCORBIC ACID, L(+)-TARTARIC ACID, SODIUM ION, ... | | Authors: | Teplitsky, E, Joshi, K, Ericson, D.L, Scalia, A, Mullen, J.D, Sweet, R.M, Soares, A.S. | | Deposit date: | 2014-06-28 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density.
J.Struct.Biol., 191, 2015
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2RA3
 | | Human cationic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI) | | Descriptor: | CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ... | | Authors: | Salameh, M.A, Soares, A.S, Radisky, E.S. | | Deposit date: | 2007-09-14 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structural Basis for Accelerated Cleavage of Bovine Pancreatic Trypsin Inhibitor (BPTI) by Human Mesotrypsin.
J.Biol.Chem., 283, 2008
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2R9P
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9B7E
 | | S_SAD structure of HEWL using lossy compression data with a compression ratio of 422 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K. | | Deposit date: | 2024-03-27 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments
To Be Published
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9B7F
 | | S_SAD structure of HEWL using lossless default compression | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K. | | Deposit date: | 2024-03-27 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments
To Be Published
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