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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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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5STS
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![BU of 5sts by Molmil](/molmil-images/mine/5sts) | 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
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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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5STX
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![BU of 5stx by Molmil](/molmil-images/mine/5stx) | 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
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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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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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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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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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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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1OMW
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![BU of 1omw by Molmil](/molmil-images/mine/1omw) | Crystal Structure of the complex between G Protein-Coupled Receptor Kinase 2 and Heterotrimeric G Protein beta 1 and gamma 2 subunits | Descriptor: | G-protein coupled receptor kinase 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(T) beta subunit 1 | Authors: | Lodowski, D.T, Pitcher, J.A, Capel, W.D, Lefkowitz, R.J, Tesmer, J.J.G. | Deposit date: | 2003-02-26 | Release date: | 2003-06-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Keeping G proteins at Bay: A Complex Between G Protein-Coupled Receptor Kinase 2 and G-Beta-Gamma Science, 300, 2003
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4CBE
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![BU of 4cbe by Molmil](/molmil-images/mine/4cbe) | Crystal structure of complement factors H and FHL-1 binding protein BBH06 or CRASP-2 from Borrelia burgdorferi (Native) | Descriptor: | COMPLEMENT REGULATOR-ACQUIRING SURFACE PROTEIN 2 (CRASP-2) | Authors: | Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Tars, K. | Deposit date: | 2013-10-13 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Characterization of Cspz, a Complement Regulator Factor H and Fhl-1 Binding Protein from Borrelia Burgdorferi. FEBS J., 281, 2014
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3LZ8
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![BU of 3lz8 by Molmil](/molmil-images/mine/3lz8) | Structure of a putative chaperone dnaj from klebsiella pneumoniae subsp. pneumoniae mgh 78578 at 2.9 a resolution. | Descriptor: | Putative chaperone DnaJ | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Bearden, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-03-01 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of a Putative Chaperone Dnaj from Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.9 A Resolution. To be Published
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4CNU
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![BU of 4cnu by Molmil](/molmil-images/mine/4cnu) | |
3LXM
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![BU of 3lxm by Molmil](/molmil-images/mine/3lxm) | 2.00 Angstrom resolution crystal structure of a catalytic subunit of an aspartate carbamoyltransferase (pyrB) from Yersinia pestis CO92 | Descriptor: | Aspartate carbamoyltransferase, TETRAETHYLENE GLYCOL | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-25 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.00 Angstrom resolution crystal structure of a catalytic subunit of an aspartate carbamoyltransferase (pyrB) from Yersinia pestis CO92 To be Published
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3LV8
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![BU of 3lv8 by Molmil](/molmil-images/mine/3lv8) | 1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-19 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP To be Published
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4CML
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![BU of 4cml by Molmil](/molmil-images/mine/4cml) | Crystal Structure of INPP5B in complex with Phosphatidylinositol 3,4- bisphosphate | Descriptor: | 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate, CHLORIDE ION, GLYCEROL, ... | Authors: | Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Moche, M, Nyman, T, Schuler, H, Silvander, C, Thorsell, A.G, Weigelt, J, Welin, M, Nordlund, P. | Deposit date: | 2014-01-16 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases. Structure, 22, 2014
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3LWZ
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![BU of 3lwz by Molmil](/molmil-images/mine/3lwz) | 1.65 Angstrom Resolution Crystal Structure of Type II 3-Dehydroquinate Dehydratase (aroQ) from Yersinia pestis | Descriptor: | 1,2-ETHANEDIOL, 3-dehydroquinate dehydratase, BETA-MERCAPTOETHANOL, ... | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-24 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 1.65 Angstrom Resolution Crystal Structure of Type II 3-Dehydroquinate Dehydratase (aroQ) from Yersinia pestis. TO BE PUBLISHED
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4CKU
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![BU of 4cku by Molmil](/molmil-images/mine/4cku) | Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor | Descriptor: | 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide, PLASMEPSIN-2 | Authors: | Tars, K, Leitans, J, Jaudzems, K. | Deposit date: | 2014-01-08 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit. Acs Med.Chem.Lett., 5, 2014
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4D1W
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![BU of 4d1w by Molmil](/molmil-images/mine/4d1w) | A H224Y mutant for VIM-7 from Pseudomonas aeruginosa | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | Deposit date: | 2014-05-05 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7. Antimicrob.Agents Chemother., 58, 2014
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4CWA
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![BU of 4cwa by Molmil](/molmil-images/mine/4cwa) | Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 1H-Benzimidazole-2-pentanamine | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5-(1H-benzimidazol-2-yl)pentan-1-amine, SPERMIDINE SYNTHASE | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. | Deposit date: | 2014-04-01 | Release date: | 2014-10-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design. Acta Crystallogr.,Sect.D, 71, 2015
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4CXM
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![BU of 4cxm by Molmil](/molmil-images/mine/4cxm) | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with METHYLTHIOADENOSIN AND SPERMIDINE after catalysis in crystal | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMIDINE, SPERMIDINE SYNTHASE | Authors: | Sprenger, J, Svensson, B, Al-Karadaghi, S, Persson, L. | Deposit date: | 2014-04-07 | Release date: | 2014-10-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design. Acta Crystallogr.,Sect.D, 71, 2015
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4D7U
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![BU of 4d7u by Molmil](/molmil-images/mine/4d7u) | The structure of the catalytic domain of NcLPMO9C from the filamentous fungus Neurospora crassa | Descriptor: | COPPER (II) ION, ENDOGLUCANASE II, GLYCEROL | Authors: | Borisova, A.S, Isaksen, T, Mathiesen, G, Sorlie, M, Sandgren, M, Eijsink, V.G.H, Dimarogona, M. | Deposit date: | 2014-11-27 | Release date: | 2015-07-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and Functional Characterization of a Lytic Polysaccharide Monooxygenase with Broad Substrate Specificity J.Biol.Chem., 290, 2015
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4CNS
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![BU of 4cns by Molmil](/molmil-images/mine/4cns) | Crystal structure of truncated human CRMP-4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ponnusamy, R, Lohkamp, B. | Deposit date: | 2014-01-24 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Human Crmp-4: Correction of Intensities for Lattice-Translocation Disorder Acta Crystallogr.,Sect.D, 70, 2014
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