5ROZ
 
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo41 | | 分子名称: | Proteinase K, SULFATE ION | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPO
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo7 | | 分子名称: | Proteinase K, SULFATE ION | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPU
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo67 | | 分子名称: | Proteinase K, SULFATE ION | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPW
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo63 | | 分子名称: | Proteinase K | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RP6
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C2a | | 分子名称: | 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, Proteinase K, SULFATE ION | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5ROR
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F1a | | 分子名称: | NICOTINAMIDE, Proteinase K, SULFATE ION | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RP5
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo48 | | 分子名称: | Proteinase K, SULFATE ION | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5ROS
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo34 | | 分子名称: | Proteinase K, SULFATE ION | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RP4
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo70 | | 分子名称: | Proteinase K, SULFATE ION | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPG
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H2a | | 分子名称: | Proteinase K, SULFATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID | | 著者 | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | | 登録日 | 2020-09-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5NHS
 | | The crystal structure of Xanthomonas albilineans N5, N10-methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) | | 分子名称: | 1,2-ETHANEDIOL, Bifunctional protein FolD | | 著者 | Bueno, R.V, Guido, R.V.C, Maluf, F.V, Lima, G.M.A, Oliveira, A.A. | | 登録日 | 2017-03-22 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | The crystal structure of Xanthomonas albilineans N5, N10-methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD)
To Be Published
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7N5Z
 | | SARS-CoV-2 Main protease C145S mutant | | 分子名称: | 3C-like proteinase | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | 登録日 | 2021-06-07 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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7N6N
 | | SARS-CoV-2 Main protease C145S mutant in complex with N and C-terminal residues | | 分子名称: | 3C-like proteinase | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Fernandes, R.S, Oliva, G, Godoy, A.S. | | 登録日 | 2021-06-08 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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6DAY
 | | Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid at 1.65 A | | 分子名称: | 4-AMINOBENZOIC ACID, Dihydropteroate synthase, GLYCEROL, ... | | 著者 | Oliveira, A.A, Guido, R.V.C, Lima, G.M.A, Bueno, R.V, Maluf, F.V. | | 登録日 | 2018-05-02 | | 公開日 | 2018-06-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid
To Be Published
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7KPH
 | | SARS-CoV-2 Main Protease in mature form | | 分子名称: | 3C-like proteinase | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | 登録日 | 2020-11-11 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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7KVR
 | | SARS-CoV-2 Main protease immature form - FMAX Library E09 fragment | | 分子名称: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Fernandes, R.S, Oliva, G, Godoy, A.S. | | 登録日 | 2020-11-28 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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7KFI
 | | SARS-CoV-2 Main protease immature form - apo structure | | 分子名称: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | 登録日 | 2020-10-14 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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7KVL
 | | SARS-CoV-2 Main protease immature form - FMAX Library E01 fragment | | 分子名称: | 2-chloropyridine-4-carboxamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Fernandes, R.S, Oliva, G, Godoy, A.S. | | 登録日 | 2020-11-28 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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7LFP
 | | SARS-CoV-2 Main protease immature form - F2X Entry Library G05 fragment | | 分子名称: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | 登録日 | 2021-01-18 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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7LDX
 | | SARS-CoV-2 Main protease immature form - F2X Entry Library E06 fragment | | 分子名称: | (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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7LFE
 | | SARS-CoV-2 Main protease immature form - F2X Entry Library E03 fragment | | 分子名称: | (2R,4R)-1-phenylhexahydropyrimidine-2,4-diol, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | 登録日 | 2021-01-16 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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7MBG
 | | SARS-CoV-2 Main protease in orthorhombic space group | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Douangamath, A, von Delft, F, Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | 登録日 | 2021-03-31 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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6OFW
 | | Dihydropteroate synthase from Xanthomonas albilineans in complex with 7,8-dihydropteroate | | 分子名称: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid, Dihydropteroate synthase, SULFATE ION | | 著者 | Oliveira, A.A, Guido, R.V.C, Maluf, F.V, Bueno, R.V, Lima, G.M.A. | | 登録日 | 2019-04-01 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Dihydropteroate synthase from Xanthomonas albilineans in complex with 7,8-dihydropteroate
To Be Published
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5SU5
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E05 from the F2X-Universal Library | | 分子名称: | 5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2022-11-30 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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5STN
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A11 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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