5R0I
 
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E12, DMSO-free | | Descriptor: | 6-azanyl-3-methyl-1,3-benzoxazol-2-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QZ8
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 23 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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6V10
 | | genome-containing AAV8 particles | | Descriptor: | Capsid protein, DNA (5'-D(*CP*A)-3') | | Authors: | Mietzsch, M, Agbandje-McKenna, M. | | Deposit date: | 2019-11-19 | | Release date: | 2019-12-11 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8.
J.Virol., 94, 2020
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5QZM
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 37 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R01
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 52 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R0N
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 01, DMSO-free | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QZB
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 26 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5DT0
 | | Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 | | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | Deposit date: | 2015-09-17 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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6FR2
 | | Soluble epoxide hydrolase in complex with LK864 | | Descriptor: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | | Deposit date: | 2018-02-15 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.262 Å) | | Cite: | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
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5QZP
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 40 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R05
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 56 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R0J
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry F08, DMSO-free | | Descriptor: | 4-[(methylamino)methyl]phenol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QZ9
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 24 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QZQ
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 41 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R07
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 58 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5DN3
 | | Aurora A in complex with ATP and AA35. | | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | | Deposit date: | 2015-09-09 | | Release date: | 2016-07-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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5R0H
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E05, DMSO-free | | Descriptor: | 2-(2-methylphenyl)acetamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QZA
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 25 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QZR
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 42 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R06
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 57 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R0G
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D07, DMSO-free | | Descriptor: | 2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QZC
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 27 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QZS
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 43 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R08
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A07, DMSO-free | | Descriptor: | (2-aminopyridin-3-yl)methanol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QY3
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03a | | Descriptor: | 2-[(1~{S})-1-azanylpropyl]phenol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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