5STG
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![BU of 5stg by Molmil](/molmil-images/mine/5stg) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H08 from the F2X-Universal Library | Descriptor: | (4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron, 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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5SU2
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![BU of 5su2 by Molmil](/molmil-images/mine/5su2) | 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
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5SU8
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![BU of 5su8 by Molmil](/molmil-images/mine/5su8) | 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
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5STK
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![BU of 5stk by Molmil](/molmil-images/mine/5stk) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H12 from the F2X-Universal Library | Descriptor: | (2R)-2-amino-2-(3-methoxyphenyl)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 (1.8 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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5SUE
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![BU of 5sue by Molmil](/molmil-images/mine/5sue) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G10 from the F2X-Universal Library | Descriptor: | 2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide, 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 (1.7 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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2VXZ
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![BU of 2vxz by Molmil](/molmil-images/mine/2vxz) | Crystal Structure of hypothetical protein PyrSV_gp04 from Pyrobaculum spherical virus | Descriptor: | CHLORIDE ION, GLYCEROL, PYRSV_GP04 | Authors: | Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Oke, M, Naismith, J.H, White, M.F. | Deposit date: | 2008-07-15 | Release date: | 2009-11-17 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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5STQ
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![BU of 5stq by Molmil](/molmil-images/mine/5stq) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03B03 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, [(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid | 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
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5STR
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![BU of 5str by Molmil](/molmil-images/mine/5str) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03B04 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N-(1-phenylcyclobutyl)glycinamide, 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
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5STW
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![BU of 5stw by Molmil](/molmil-images/mine/5stw) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C12 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N'-phenylacetohydrazide, 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: | 2022-11-30 | Method: | X-RAY DIFFRACTION (1.89 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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5STY
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![BU of 5sty by Molmil](/molmil-images/mine/5sty) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D02 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-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
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5EJE
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![BU of 5eje by Molmil](/molmil-images/mine/5eje) | Crystal structure of E. coli Adenylate kinase G56C/T163C double mutant in complex with Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, COBALT (II) ION | Authors: | Sauer, U.H, Kovermann, M, Grundstrom, C, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2015-11-01 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for ligand binding to an enzyme by a conformational selection pathway. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5SU1
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![BU of 5su1 by Molmil](/molmil-images/mine/5su1) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D08 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide, 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 (1.57 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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5SU4
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![BU of 5su4 by Molmil](/molmil-images/mine/5su4) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E02 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N-[(3-bromophenyl)methyl]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 (1.66 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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5SUA
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![BU of 5sua by Molmil](/molmil-images/mine/5sua) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F12 from the F2X-Universal Library | Descriptor: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile, 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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5SU7
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![BU of 5su7 by Molmil](/molmil-images/mine/5su7) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E12 from the F2X-Universal Library | Descriptor: | (2S)-4-(3,4-difluorophenyl)butan-2-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: | 2022-11-30 | Method: | X-RAY DIFFRACTION (1.81 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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5SUG
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![BU of 5sug by Molmil](/molmil-images/mine/5sug) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H05 from the F2X-Universal Library | Descriptor: | 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate, 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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5SUD
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![BU of 5sud by Molmil](/molmil-images/mine/5sud) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G05 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N-[(2R)-2-cyanopropyl]benzamide, 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 (1.48 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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5OJ7
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![BU of 5oj7 by Molmil](/molmil-images/mine/5oj7) | |
6U9U
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![BU of 6u9u by Molmil](/molmil-images/mine/6u9u) | Structure of GM9_TH8seq732127 FAB | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ... | Authors: | Singh, S, Liban, T.J, Pancera, M. | Deposit date: | 2019-09-09 | Release date: | 2019-11-06 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses. J.Exp.Med., 217, 2020
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3N4Q
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![BU of 3n4q by Molmil](/molmil-images/mine/3n4q) | Human cytomegalovirus terminase nuclease domain, Mn soaked | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, TERMINASE SUBUNIT UL89 PROTEIN | Authors: | Nadal, M, Mas, P.J, Blanco, A.G, Arnan, C, Sola, M, Hart, D.J, Coll, M. | Deposit date: | 2010-05-22 | Release date: | 2010-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and inhibition of herpesvirus DNA packaging terminase nuclease domain. Proc.Natl.Acad.Sci.USA, 107, 2010
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2W31
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![BU of 2w31 by Molmil](/molmil-images/mine/2w31) | globin domain of Geobacter sulfurreducens globin-coupled sensor | Descriptor: | GLOBIN, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pesce, A, Thijs, L, Nardini, M, Desmet, F, Sisinni, L, Gourlay, L, Bolli, A, Coletta, M, Van Doorslaer, S, Wan, X, Alam, M, Ascenzi, P, Moens, L, Bolognesi, M, Dewilde, S. | Deposit date: | 2008-11-05 | Release date: | 2009-01-13 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hise11 and Hisf8 Provide Bis-Histidyl Heme Hexa-Coordination in the Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor. J.Mol.Biol., 386, 2009
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2VW8
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![BU of 2vw8 by Molmil](/molmil-images/mine/2vw8) | Crystal Structure of Quinolone signal response protein pqsE from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, FE (II) ION, ... | Authors: | Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Oke, M, Naismith, J.H, White, M.F. | Deposit date: | 2008-06-17 | Release date: | 2010-07-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2W1F
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![BU of 2w1f by Molmil](/molmil-images/mine/2w1f) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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6DN4
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![BU of 6dn4 by Molmil](/molmil-images/mine/6dn4) | Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif | Descriptor: | Beta-lactamase | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | Deposit date: | 2018-06-06 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell, 2020
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2VUX
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![BU of 2vux by Molmil](/molmil-images/mine/2vux) | Human ribonucleotide reductase, subunit M2 B | Descriptor: | FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SUBUNIT M2 B | Authors: | Welin, M, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-31 | Release date: | 2008-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Human Ribonucleotide Reductase, Subunit M2 B To be Published
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