5RC6
 
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F08b | | 分子名称: | 4-[(methylamino)methyl]phenol, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RCL
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 06 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RCU
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 16 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RDB
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 33 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RDP
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 41 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R0W
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 10, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1C
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 27, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1S
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 42, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R29
 | | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G09, DMSO-free | | 分子名称: | (2R)-2-(acetylamino)-4-phenylbutanoic acid, Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.105 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R2R
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 15, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.048 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R38
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 32, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.076 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R3N
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 47, DMSO-Free | | 分子名称: | Endothiapepsin | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (1.059 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RC7
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F11a | | 分子名称: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RCN
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 08 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RD3
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 25 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RDK
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 44 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RE0
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 57 | | 分子名称: | Endothiapepsin | | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | 登録日 | 2020-03-24 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5ROJ
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo59 | | 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 (1.02 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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5RPR
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo15 | | 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 (1.16 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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5ROE
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo6 | | 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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5ROQ
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a | | 分子名称: | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 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 (1.02 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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5ROF
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C11a | | 分子名称: | 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, 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 (1.08 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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5RPL
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C8a | | 分子名称: | (4-methoxycarbonylphenyl)methylazanium, 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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5ROH
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo61 | | 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 (1.04 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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5RPS
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo60 | | 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 (1.04 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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