5RPG
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![BU of 5rpg by Molmil](/molmil-images/mine/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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5RPJ
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![BU of 5rpj by Molmil](/molmil-images/mine/5rpj) | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B12a | 分子名称: | 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, 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 (1.27 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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5RON
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![BU of 5ron by Molmil](/molmil-images/mine/5ron) | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E4a | 分子名称: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, 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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5ROM
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![BU of 5rom by Molmil](/molmil-images/mine/5rom) | PanDDA analysis group deposition -- Proteinase K crystal structure Apo45 | 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 (1.07 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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5ROZ
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![BU of 5roz by Molmil](/molmil-images/mine/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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5RPU
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![BU of 5rpu by Molmil](/molmil-images/mine/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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5RBT
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![BU of 5rbt by Molmil](/molmil-images/mine/5rbt) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C11b | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, 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 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.12 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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5RCA
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![BU of 5rca by Molmil](/molmil-images/mine/5rca) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G08b | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, 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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5RCQ
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![BU of 5rcq by Molmil](/molmil-images/mine/5rcq) | PanDDA analysis group deposition -- Endothiapepsin ground state model 11 | 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 (1.34 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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5RD4
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![BU of 5rd4 by Molmil](/molmil-images/mine/5rd4) | PanDDA analysis group deposition -- Endothiapepsin ground state model 26 | 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 (1.18 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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5RDJ
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![BU of 5rdj by Molmil](/molmil-images/mine/5rdj) | PanDDA analysis group deposition -- Endothiapepsin ground state model 43 | 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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5RDY
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![BU of 5rdy by Molmil](/molmil-images/mine/5rdy) | PanDDA analysis group deposition -- Endothiapepsin ground state model 55 | 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 (1.13 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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5R10
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![BU of 5r10 by Molmil](/molmil-images/mine/5r10) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 14, 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 (1.7 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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5R1H
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![BU of 5r1h by Molmil](/molmil-images/mine/5r1h) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 32, 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 | 2021-03-10 | 実験手法 | X-RAY DIFFRACTION (2.06 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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5R22
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![BU of 5r22 by Molmil](/molmil-images/mine/5r22) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E11, DMSO-free | 分子名称: | Endothiapepsin, [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol | 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 (1.098 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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5R2I
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![BU of 5r2i by Molmil](/molmil-images/mine/5r2i) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 05, 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 (1.008 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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5R2Z
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![BU of 5r2z by Molmil](/molmil-images/mine/5r2z) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 23, 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 (0.969 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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5R3F
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![BU of 5r3f by Molmil](/molmil-images/mine/5r3f) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 39, 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 (1.187 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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5R3U
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![BU of 5r3u by Molmil](/molmil-images/mine/5r3u) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 54, 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 (1.088 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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5RBO
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![BU of 5rbo by Molmil](/molmil-images/mine/5rbo) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library A07a | 分子名称: | (2-aminopyridin-3-yl)methanol, 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 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.08 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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5RC2
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![BU of 5rc2 by Molmil](/molmil-images/mine/5rc2) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E11b | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | 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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5RCJ
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![BU of 5rcj by Molmil](/molmil-images/mine/5rcj) | PanDDA analysis group deposition -- Endothiapepsin ground state model 04 | 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 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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5RCY
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![BU of 5rcy by Molmil](/molmil-images/mine/5rcy) | PanDDA analysis group deposition -- Endothiapepsin ground state model 20 | 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 (1.11 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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5RDD
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![BU of 5rdd by Molmil](/molmil-images/mine/5rdd) | PanDDA analysis group deposition -- Endothiapepsin ground state model 35 | 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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5RDU
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![BU of 5rdu by Molmil](/molmil-images/mine/5rdu) | PanDDA analysis group deposition -- Endothiapepsin ground state model 51 | 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 (1.05 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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