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8DCT
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BU of 8dct by Molmil
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:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DCW
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BU of 8dcw by Molmil
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:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DCU
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BU of 8dcu by Molmil
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:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DCV
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BU of 8dcv by Molmil
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:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
7MGU
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BU of 7mgu by Molmil
Improved ligand discovery using micro-beam data collection at the edge of protein crystals
Descriptor: 1,2-ETHANEDIOL, ARGININE, Endo-1,4-beta-xylanase, ...
Authors:Soares, A.S, Jakoncic, J.
Deposit date:2021-04-13
Release date:2021-09-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improved ligand discovery using micro-beam data collection at the edge of protein crystals
To Be Published
3RTO
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BU of 3rto by Molmil
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:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Acoustically Mounted Microcrystals Yield High-Resolution X-ray Structures.
Biochemistry, 50, 2011
5WJH
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BU of 5wjh by Molmil
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:2024-11-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
5WHW
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BU of 5whw by Molmil
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:2024-11-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
5WJG
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BU of 5wjg by Molmil
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:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
2R2X
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BU of 2r2x by Molmil
Ricin A-chain (recombinant) complex with Urea
Descriptor: Ricin A chain, SULFATE ION, UREA
Authors:Carra, J.H, McHugh, C.A, Mulligan, S, Machiesky, L.M, Soares, A.S, Millard, C.B.
Deposit date:2007-08-28
Release date:2007-11-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based identification of determinants of conformational and spectroscopic change at the ricin active site.
Bmc Struct.Biol., 7, 2007
2R25
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BU of 2r25 by Molmil
Complex of YPD1 and SLN1-R1 with bound Mg2+ and BeF3-
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Osmosensing histidine protein kinase SLN1, ...
Authors:Copeland, D.M, Zhao, X, Soares, A.S, West, A.H.
Deposit date:2007-08-24
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a complex between the phosphorelay protein YPD1 and the response regulator domain of SLN1 bound to a phosphoryl analog
J.Mol.Biol., 375, 2008
4DSI
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BU of 4dsi by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with duplex DNA, Se-dGTP and Calcium
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, CALCIUM ION, DNA, ...
Authors:Gan, J.H, Abdur, R, Liu, H.H, Sheng, J, Caton-Willians, J, Soares, A.S, Huang, Z.
Deposit date:2012-02-19
Release date:2013-03-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biochemical and structural insights into the fidelity of bacillus stearothermophilus DNA polymerase
To be Published
3L33
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BU of 3l33 by Molmil
Human mesotrypsin complexed with amyloid precursor protein inhibitor(APPI)
Descriptor: Amyloid beta A4 protein, CALCIUM ION, FORMIC ACID, ...
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2009-12-16
Release date:2010-09-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Determinants of affinity and proteolytic stability in interactions of Kunitz family protease inhibitors with mesotrypsin.
J.Biol.Chem., 285, 2010
3L3T
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BU of 3l3t by Molmil
Human mesotrypsin complexed with amyloid precursor protein inhibitor variant (APPIR15K)
Descriptor: CALCIUM ION, FORMIC ACID, PRSS3 protein, ...
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2009-12-17
Release date:2010-09-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.378 Å)
Cite:Determinants of affinity and proteolytic stability in interactions of Kunitz family protease inhibitors with mesotrypsin.
J.Biol.Chem., 285, 2010
6PBR
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BU of 6pbr by Molmil
Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group
Descriptor: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION
Authors:Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q.
Deposit date:2019-06-14
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the dihydrolipoamide succinyltransferase catalytic domain from Escherichia coli in a novel crystal form: a tale of a common protein crystallization contaminant.
Acta Crystallogr.,Sect.F, 75, 2019
4NCY
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BU of 4ncy by Molmil
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:2024-10-09
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
4WWY
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BU of 4wwy by Molmil
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:2024-11-20
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
4WXV
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BU of 4wxv by Molmil
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:2024-10-23
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
4N8Z
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BU of 4n8z by Molmil
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:2024-10-30
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
4M65
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BU of 4m65 by Molmil
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
4P2E
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BU of 4p2e by Molmil
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:2024-11-13
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
2FRI
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BU of 2fri by Molmil
Horse Heart Myoglobin, Nitrite Adduct, Co-crystallized
Descriptor: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
Deposit date:2006-01-19
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
2FRF
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BU of 2frf by Molmil
Horse Heart Myoglobin, Nitrite Adduct, Crystal Soak
Descriptor: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
Deposit date:2006-01-19
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
2FRK
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BU of 2frk by Molmil
Nitrosyl Horse Heart Myoglobin, Nitric Oxide Gas Method
Descriptor: Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
Deposit date:2006-01-19
Release date:2006-05-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
2FRJ
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BU of 2frj by Molmil
Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method
Descriptor: Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
Deposit date:2006-01-19
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006

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