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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2023-10-18
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2023-10-18
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2023-09-13
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
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2023-10-04
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2023-10-04
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
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2023-10-04
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
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
4M65
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BU of 4m65 by Molmil
In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ...
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2013-08-08
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 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, D70
7MNG
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BU of 7mng by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy)
分子名称: (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE
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2021-04-30
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 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
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
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
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
2FRF
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BU of 2frf by Molmil
Horse Heart Myoglobin, Nitrite Adduct, Crystal Soak
分子名称: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
登録日2006-01-19
公開日2006-05-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
登録日2006-01-19
公開日2006-05-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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
分子名称: Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
登録日2006-01-19
公開日2006-05-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
2FRI
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BU of 2fri by Molmil
Horse Heart Myoglobin, Nitrite Adduct, Co-crystallized
分子名称: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
登録日2006-01-19
公開日2006-05-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
4ILW
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BU of 4ilw by Molmil
Complex of matrix metalloproteinase-10 catalytic domain (MMP-10cd) with tissue inhibitor of metalloproteinases-2 (TIMP-2)
分子名称: CALCIUM ION, Metalloproteinase inhibitor 2, Stromelysin-2, ...
著者Batra, J, Soares, A.S, Radisky, E.S.
登録日2013-01-01
公開日2013-11-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Matrix Metalloproteinase-10/TIMP-2 Structure and Analyses Define Conserved Core Interactions and Diverse Exosite Interactions in MMP/TIMP Complexes.
Plos One, 8, 2013
4DSJ
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BU of 4dsj by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with duplex DNA, dGTP and Calcium
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA, ...
著者Gan, J.H, Abdur, R, Liu, H.H, Sheng, J, Caton-Willians, J, Soares, A.S, Huang, Z.
登録日2012-02-19
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Biochemical and structural insights into the fidelity of bacillus stearothermophilus DNA polymerase
To be Published
4DWI
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BU of 4dwi by Molmil
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with self complementary DNA, Se-dGTP and Calcium
分子名称: 9-METHYLGUANINE, CALCIUM ION, DNA (5'-D(*AP*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), ...
著者Gan, J.H, Abdur, R, Liu, H.H, Sheng, J, Caton-Willians, J, Soares, A.S, Huang, Z.
登録日2012-02-24
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biochemical and structural insights into the fidelity of bacillus stearothermophilus DNA polymerase
To be Published
4H4F
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BU of 4h4f by Molmil
Crystal structure of human chymotrypsin C (CTRC) bound to inhibitor eglin c from Hirudo medicinalis
分子名称: Chymotrypsin-C, Eglin C, PHOSPHATE ION
著者Batra, J, Soares, A.S, Radisky, E.S.
登録日2012-09-17
公開日2013-02-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Long-range Electrostatic Complementarity Governs Substrate Recognition by Human Chymotrypsin C, a Key Regulator of Digestive Enzyme Activation.
J.Biol.Chem., 288, 2013
6XIZ
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BU of 6xiz by Molmil
Crystal structure of multi-copper oxidase from Pediococcus acidilactici
分子名称: BENZAMIDINE, CHLORIDE ION, COPPER (II) ION, ...
著者Pardo, I, Soares, A.S, Collins, R, Partowmah, S.H, Coler, E.A.
登録日2020-06-22
公開日2021-03-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
6XJ0
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BU of 6xj0 by Molmil
Crystal structure of multi-copper oxidase from Pediococcus pentosaceus
分子名称: CHLORIDE ION, COPPER (II) ION, CU-O-CU LINKAGE, ...
著者Pardo, I, Soares, A.S, Collins, R, Partowmah, S.H, Coler, E.A.
登録日2020-06-22
公開日2021-03-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021

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