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PDB: 52230 results

5STC
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BU of 5stc by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F09 from the F2X-Universal Library
Descriptor: 1-(2-chloroethyl)-1H-imidazole, 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 (1.44 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5STF
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BU of 5stf by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H02 from the F2X-Universal Library
Descriptor: 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione, 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 (1.45 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5STH
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BU of 5sth by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H09 from the F2X-Universal Library
Descriptor: 5-chloranylthiophene-2-sulfonamide, 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 (1.67 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5STI
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BU of 5sti by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H11 from the F2X-Universal Library
Descriptor: 1-(3-methoxy-4-methylphenyl)methanamine, 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 (1.76 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7N31
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BU of 7n31 by Molmil
Elongating 70S ribosome complex in a post-translocation (POST) conformation
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C.
Deposit date:2021-05-31
Release date:2021-07-14
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structural basis of early translocation events on the ribosome.
Nature, 595, 2021
5STV
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BU of 5stv by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C11 from the F2X-Universal Library
Descriptor: 2-bromo-N-ethylbenzamide, 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 (1.5 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5SU0
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BU of 5su0 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D07 from the F2X-Universal Library
Descriptor: (2R)-2-phenylbutan-1-amine, 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 (1.54 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5SU6
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BU of 5su6 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E08 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-cyclopropyl-N-[(thiophen-2-yl)methyl]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 (1.51 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5SUB
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BU of 5sub by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G01 from the F2X-Universal Library
Descriptor: (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide, 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 (1.51 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5STL
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BU of 5stl by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A02 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide, 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 (1.51 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5STM
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BU of 5stm by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A03 from the F2X-Universal Library
Descriptor: 5-bromo-2-hydrazinylpyridine, 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
8E13
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BU of 8e13 by Molmil
Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
Descriptor: Beta-2-microglobulin, MHC class I antigen, PHE-ALA-LYS-LYS-LYS-TYR-CYS-LEU
Authors:Li, L, Bouvier, M.
Deposit date:2022-08-09
Release date:2023-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
5ST0
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BU of 5st0 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02B04 from the F2X-Universal Library
Descriptor: 1-amino-4,4-dimethylcyclohexane-1-carboxamide, 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 (1.54 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
8DSV
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BU of 8dsv by Molmil
The structure of NicA2 in complex with N-methylmyosmine
Descriptor: DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ...
Authors:Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
Deposit date:2022-07-22
Release date:2023-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
5ST2
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BU of 5st2 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C06 from the F2X-Universal Library
Descriptor: 5-methylpyridazin-3(2H)-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 (1.53 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5STS
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BU of 5sts by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03B11 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ethyl 2-(cyclopropylamino)-1,3-thiazole-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:2024-05-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
6NI8
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BU of 6ni8 by Molmil
Pseudomonas fluorescens isocyanide hydratase rotating anode 298K
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cysteine modification can gate non-equilibrium conformational dynamics during enzyme catalysis
Biorxiv, 2019
5STX
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BU of 5stx by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D01 from the F2X-Universal Library
Descriptor: 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile, 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 (1.5 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5JTD
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BU of 5jtd by Molmil
Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with DMSO.
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kloos, M.
Deposit date:2016-05-09
Release date:2016-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies.
Biochim.Biophys.Acta, 1864, 2016
8E8I
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BU of 8e8i by Molmil
Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
Descriptor: Beta-2-microglobulin, MHC class I antigen, PHE-VAL-LYS-LYS-LYS-TYR-CYS-LEU
Authors:Li, L, Bouvier, M.
Deposit date:2022-08-25
Release date:2023-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
5SU2
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BU of 5su2 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D10 from the F2X-Universal Library
Descriptor: 1-(6-methylpyridin-2-yl)-1,4-diazepane, 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 (1.85 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5SU8
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BU of 5su8 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F01 from the F2X-Universal Library
Descriptor: (2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-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 (1.79 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
5WRA
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BU of 5wra by Molmil
Crystal structure of hen egg-white lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017
8DQ7
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BU of 8dq7 by Molmil
The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S from Pseudomonas putida
Descriptor: Amine oxidase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
Deposit date:2022-07-18
Release date:2023-07-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 2023
5ST4
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BU of 5st4 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D05 from the F2X-Universal Library
Descriptor: (2R)-amino(3-chlorophenyl)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 (1.44 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022

227111

數據於2024-11-06公開中

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