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PDB: 85 件

7MGU
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BU of 7mgu by Molmil
Improved ligand discovery using micro-beam data collection at the edge of protein crystals
分子名称: 1,2-ETHANEDIOL, ARGININE, Endo-1,4-beta-xylanase, ...
著者Soares, A.S, Jakoncic, J.
登録日2021-04-13
公開日2021-09-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Improved ligand discovery using micro-beam data collection at the edge of protein crystals
To Be Published
8DCT
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BU of 8dct by Molmil
Lysozyme cluster 3 dual apo structure
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
著者Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
登録日2022-06-17
公開日2022-08-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
著者Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
登録日2022-06-17
公開日2022-08-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
著者Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
登録日2022-06-17
公開日2022-08-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
著者Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
登録日2022-06-17
公開日2022-08-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
3RTO
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BU of 3rto by Molmil
Acoustically mounted porcine insulin microcrystals yield an X-ray SAD structure
分子名称: Insulin, ZINC ION
著者Soares, A.S, Engel, M.A, Stearns, R, Datwani, S, Olechno, J, Ellson, R, Skinner, J.M, Allaire, M, Orville, A.M.
登録日2011-05-03
公開日2011-05-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CALCIUM ION, Proteinase K
著者Soares, A.S, Brennan, H.M, McCarthy, L, Leroy, L.
登録日2017-07-22
公開日2017-08-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, L(+)-TARTARIC ACID, ...
著者Soares, A.S, Brennan, H.M, McCarthy, L, Leroy, L.
登録日2017-07-22
公開日2017-08-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, BICINE, CALCIUM ION, ...
著者Soares, A.S, Brennan, H.M, Natarajan, R, McCarthy, L, Leroy, L.
登録日2017-07-18
公開日2017-08-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Using sound pulses to solve the crystal-harvesting bottleneck.
Acta Crystallogr D Struct Biol, 74, 2018
5JBT
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BU of 5jbt by Molmil
Mesotrypsin in complex with cleaved amyloid precursor like protein 2 inhibitor (APLP2)
分子名称: Amyloid-like protein 2, CALCIUM ION, PRSS3 protein, ...
著者Kayode, O, Wang, R, Pendlebury, D, Soares, A, Radisky, E.S.
登録日2016-04-13
公開日2016-11-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis.
J. Biol. Chem., 291, 2016
8G83
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BU of 8g83 by Molmil
Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain
分子名称: NAD(+) hydrolase AbTIR
著者Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A.
登録日2023-02-17
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
7MRR
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BU of 7mrr by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN
著者Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2021-05-08
公開日2021-05-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
3L3T
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BU of 3l3t by Molmil
Human mesotrypsin complexed with amyloid precursor protein inhibitor variant (APPIR15K)
分子名称: CALCIUM ION, FORMIC ACID, PRSS3 protein, ...
著者Salameh, M.A, Soares, A.S, Radisky, E.S.
登録日2009-12-17
公開日2010-09-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.378 Å)
主引用文献Determinants of affinity and proteolytic stability in interactions of Kunitz family protease inhibitors with mesotrypsin.
J.Biol.Chem., 285, 2010
4N8Z
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BU of 4n8z by Molmil
In situ lysozyme crystallized on a MiTeGen micromesh with benzamidine ligand
分子名称: BENZAMIDINE, CHLORIDE ION, Lysozyme C, ...
著者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.
登録日2013-10-18
公開日2013-10-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
5F81
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BU of 5f81 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者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.
登録日2015-12-08
公開日2016-02-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
1XXS
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BU of 1xxs by Molmil
Structural insights for fatty acid binding in a Lys49 phospholipase A2: crystal structure of myotoxin II from Bothrops moojeni complexed with stearic acid
分子名称: Phospholipase A2 homolog 2, STEARIC ACID, SULFATE ION
著者Watanabe, L, Soares, A.M, Ward, R.J, Fontes, M.R, Arni, R.K.
登録日2004-11-08
公開日2005-03-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights for fatty acid binding in a Lys49-phospholipase A(2): crystal structure of myotoxin II from Bothrops moojeni complexed with stearic acid
Biochimie, 87, 2005
1Z76
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BU of 1z76 by Molmil
Crystal structure of an acidic phospholipase A2 (BthA-I) from Bothrops jararacussu venom complexed with p-bromophenacyl bromide
分子名称: p-Bromophenacyl bromide, phospholipase A2
著者Magro, A.J, Takeda, A.A, Soares, A.M, Fontes, M.R.
登録日2005-03-24
公開日2006-03-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of BthA-I complexed with p-bromophenacyl bromide: possible correlations with lack of pharmacological activity.
Acta Crystallogr.,Sect.D, 61, 2005
6PBR
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BU of 6pbr by Molmil
Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group
分子名称: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION
著者Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q.
登録日2019-06-14
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
6PEY
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BU of 6pey by Molmil
MTHFR with mutation Asp120Ala
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
著者Gallagher, E.L, Gurney, L.A, Frasco, F.G, Trimmer, E, Bolen, R.L, Collins, K, Garland, E, Halloran, J, Handley-Pendelton, J, Hernandez, V, Leffler, S, Perez, A, Soares, A, Stojanoff, V, Williams, D.
登録日2019-06-21
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Examination of Asp120Ala a Chemically Important Novel Mutation in the Enzyme Mthylenetetrahydrofolate Reductase
To be published
5HQD
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BU of 5hqd by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: CALCIUM ION, Thermolysin, ZINC ION
著者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.
登録日2016-01-21
公開日2016-02-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5HL4
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BU of 5hl4 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者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.
登録日2016-01-14
公開日2016-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
3L33
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BU of 3l33 by Molmil
Human mesotrypsin complexed with amyloid precursor protein inhibitor(APPI)
分子名称: Amyloid beta A4 protein, CALCIUM ION, FORMIC ACID, ...
著者Salameh, M.A, Soares, A.S, Radisky, E.S.
登録日2009-12-16
公開日2010-09-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Determinants of affinity and proteolytic stability in interactions of Kunitz family protease inhibitors with mesotrypsin.
J.Biol.Chem., 285, 2010
3P92
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BU of 3p92 by Molmil
Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17G)
分子名称: CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor
著者Salameh, M.A, Soares, A.S, Radisky, E.S.
登録日2010-10-15
公開日2011-08-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5992 Å)
主引用文献The P2' residue is a key determinant of mesotrypsin specificity: engineering a high-affinity inhibitor with anticancer activity.
Biochem.J., 440, 2011
3P95
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BU of 3p95 by Molmil
Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17D)
分子名称: CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor
著者Salameh, M.A, Soares, A.S, Radisky, E.S.
登録日2010-10-15
公開日2011-08-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.2991 Å)
主引用文献The P2' residue is a key determinant of mesotrypsin specificity: engineering a high-affinity inhibitor with anticancer activity.
Biochem.J., 440, 2011
4TPY
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BU of 4tpy by Molmil
High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, ...
著者Teplitsky, E, Joshi, K, Mullen, J.D, Soares, A.S.
登録日2014-06-10
公開日2014-10-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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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