7FMA
 
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B04 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, N-[2-(aminomethyl)phenyl]methanesulfonamide, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FMG
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C09 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FMM
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D09 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FMT
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E09 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ethyl 2-aminopyridine-4-carboxylate | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2022-11-30 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FMZ
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06F08 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FN9
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A05 from the F2X-Universal Library | | Descriptor: | 4-(4-ethylpiperazin-1-yl)aniline, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FNF
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B10 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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2AEN
 | | Crystal structure of the rotavirus strain DS-1 VP8* core | | Descriptor: | ETHANOL, GLYCEROL, Outer capsid protein VP4, ... | | Authors: | Monnier, N, Higo-Moriguchi, K, Sun, Z.-Y.J, Prasad, B.V.V, Taniguchi, K, Dormitzer, P.R. | | Deposit date: | 2005-07-22 | | Release date: | 2006-02-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | High-resolution molecular and antigen structure of the VP8*
core of a sialic acid-independent human rotavirus strain
J.Virol., 80, 2006
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7FNN
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D07 from the F2X-Universal Library | | Descriptor: | 1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FNW
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F07 from the F2X-Universal Library | | Descriptor: | 2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FO4
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G08 from the F2X-Universal Library | | Descriptor: | 4-(2-methylpropoxy)benzohydrazide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FOF
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A10 from the F2X-Universal Library | | Descriptor: | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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3JS1
 | | Crystal structure of adipocyte fatty acid binding protein covalently modified with 4-hydroxy-2-nonenal | | Descriptor: | Adipocyte fatty acid-binding protein, PHOSPHATE ION | | Authors: | Hellberg, K, Grimsrud, P.A, Kruse, A.C, Banaszak, L.J, Ohlendorf, D.H, Bernlohr, D.A. | | Deposit date: | 2009-09-09 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | X-ray crystallographic analysis of adipocyte fatty acid binding protein (aP2) modified with 4-hydroxy-2-nonenal.
Protein Sci., 19, 2010
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7FON
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C04 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, DIMETHYL SULFOXIDE, N-(2-aminoethyl)-2-cyclohexylacetamide, ... | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FOY
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E10 from the F2X-Universal Library | | Descriptor: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FP6
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G05 from the F2X-Universal Library | | Descriptor: | (3R)-3-amino-3-phenylpropanenitrile, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FPC
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09D07 from the F2X-Universal Library | | Descriptor: | ({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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4YE2
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7X3U
 | | cryo-EM structure of human TRiC-ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2022-03-01 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
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7X3J
 | | Cryo-EM structure of human TRiC-tubulin-S2 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2022-03-01 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
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7X6Q
 | | cryo-EM structure of human TRiC-ATP-closed state | | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2022-03-08 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
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7X7Y
 | | Cryo-EM structure of Human TRiC-ATP-open state | | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2022-03-10 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
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1GPX
 | | C85S GAPDX, NMR, 20 STRUCTURES | | Descriptor: | GALLIUM (III) ION, PUTIDAREDOXIN | | Authors: | Pochapsky, T.C, Kuti, M, Kazanis, S. | | Deposit date: | 1998-06-10 | | Release date: | 1999-01-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The solution structure of a gallium-substituted putidaredoxin mutant: GaPdx C85S.
J.Biomol.NMR, 12, 1998
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7X1O
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1XS7
 | | Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase). | | Descriptor: | Beta-secretase 1, N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4 -ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE | | Authors: | Ghosh, A, Devasamudram, T, Hong, L, DeZutter, C, Xu, X, Weerasena, V, Koelsch, G, Bilcer, G, Tang, J. | | Deposit date: | 2004-10-18 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase).
Bioorg.Med.Chem.Lett., 15, 2005
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