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PDB: 85 件

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
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
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
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
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
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
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
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
7JYC
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BU of 7jyc by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir
分子名称: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-08-30
公開日2020-09-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.79 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
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
6VOW
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BU of 6vow by Molmil
Crystal structure of multi-copper oxidase from Pseudomonas Thermotolerans
分子名称: COPPER (II) ION, CU-O-CU LINKAGE, multicopper oxidase
著者Coler, E.A, Soares, A.S, Collins, R.E.
登録日2020-01-31
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of multi-copper oxidase from Pseudomonas Thermotolerans
To Be Published
6VOX
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BU of 6vox by Molmil
Crystal structure of multi-copper oxidase from Pseudomonas Parafulva
分子名称: COPPER (II) ION, CU-O-CU LINKAGE, Copper oxidase
著者Partowmah, S.H, Coler, E.A, Soares, A.S, Collins, R.E.
登録日2020-01-31
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structure of multi-copper oxidase from Pseudomonas Parafulva
To Be Published
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
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
3HGA
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BU of 3hga by Molmil
Crystal Structure of 4-Se-Uridine Derivatized RNA
分子名称: 5'-R(*UP*(US5)P*CP*GP*CP*G)-3'
著者Sheng, J, Soares, A, Huang, Z.
登録日2009-05-13
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Oxygen Replacement with Selenium at the Uridine 4-Position for RNA Structure Study and Visualization
To be Published
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2024-12-25
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
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
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
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
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
4U32
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BU of 4u32 by Molmil
Human mesotrypsin complexed with HAI-2 Kunitz domain 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Kunitz-type protease inhibitor 2, ...
著者Wang, R, Soares, A.S, Radisky, E.S.
登録日2014-07-18
公開日2014-10-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Sequence and Conformational Specificity in Substrate Recognition: SEVERAL HUMAN KUNITZ PROTEASE INHIBITOR DOMAINS ARE SPECIFIC SUBSTRATES OF MESOTRYPSIN.
J.Biol.Chem., 289, 2014

 

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