5SU0
 
 | | 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
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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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5SU6
 | | 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
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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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5SUB
 | | 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
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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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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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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
 | | 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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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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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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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
 | | 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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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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1CNZ
 | | 3-ISOPROPYLMALATE DEHYDROGENASE (IPMDH) FROM SALMONELLA TYPHIMURIUM | | Descriptor: | MANGANESE (II) ION, PROTEIN (3-ISOPROPYLMALATE DEHYDROGENASE), SULFATE ION | | Authors: | Wallon, G, Kryger, G, Lovett, S.T, Oshima, T, Ringe, D, Petsko, G.A. | | Deposit date: | 1999-05-24 | | Release date: | 1999-06-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structures of Eschericia Coli and Salmonella Typhimurium 3-
Isopropylmalate Dehydrogenase and Comparison with Their Thermophilic
Counterpart from Thermus Thermophilus
J.Mol.Biol., 266, 1997
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6O5H
 | | The effect of modifier structure on the activation of leukotriene A4 hydrolase aminopeptidase activity. | | Descriptor: | 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine, Leukotriene A-4 hydrolase, ZINC ION | | Authors: | Noble, S.M, Lee, K.H, Paige, M. | | Deposit date: | 2019-03-03 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Effect of Modifier Structure on the Activation of Leukotriene A4Hydrolase Aminopeptidase Activity.
J.Med.Chem., 62, 2019
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1HG0
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1HFW
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1GQW
 | | Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli | | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ... | | Authors: | Elkins, J.M, Ryle, M.J, Clifton, I.J, Dunning-Hotopp, J.C, Lloyd, J.S, Burzlaff, N.I, Baldwin, J.E, Hausinger, R.P, Roach, P.L. | | Deposit date: | 2001-12-05 | | Release date: | 2002-04-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates
Biochemistry, 41, 2002
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4O9E
 | | Crystal structure of QdtA, a sugar 3,4-ketoisemerase from Thermoanaerobacterium thermosaccharolyticum in complex with TDP | | Descriptor: | (2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol, QdtA, THYMIDINE-5'-DIPHOSPHATE, ... | | Authors: | Thoden, J.B, Holden, H.M. | | Deposit date: | 2014-01-02 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The molecular architecture of QdtA, a sugar 3,4-ketoisomerase from Thermoanaerobacterium thermosaccharolyticum.
Protein Sci., 23, 2014
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2A2I
 | | Aquifex aeolicus KDO8PS in complex with PEP, A5P, Zn2+ | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, PHOSPHOENOLPYRUVATE, ... | | Authors: | Kona, F, Xu, X, Lu, J, Martin, P, Gatti, D.L. | | Deposit date: | 2005-06-22 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Electronic structure of the metal center in the Cd(2+), Zn(2+), and Cu(2+) substituted forms of KDO8P synthase: implications for catalysis.
Biochemistry, 48, 2009
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2EIB
 | | Crystal Structure of Galactose Oxidase, W290H mutant | | Descriptor: | ACETATE ION, COPPER (II) ION, Galactose oxidase, ... | | Authors: | Phillips, S.E, McPherson, M.J, Knowles, P.F, Wilmot, C. | | Deposit date: | 2007-03-12 | | Release date: | 2007-04-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Biochemistry, 46, 2007
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3L61
 | | Crystal structure of substrate-free P450cam at 200 mM [K+] | | Descriptor: | Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B. | | Deposit date: | 2009-12-22 | | Release date: | 2010-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | P450cam visits an open conformation in the absence of substrate.
Biochemistry, 49, 2010
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1AU1
 | | HUMAN INTERFERON-BETA CRYSTAL STRUCTURE | | Descriptor: | INTERFERON-BETA, ZINC ION, alpha-D-quinovopyranose-(1-6)-beta-D-glucopyranose, ... | | Authors: | Karpusas, M, Nolte, M, Lipscomb, W. | | Deposit date: | 1997-09-09 | | Release date: | 1998-06-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of human interferon beta at 2.2-A resolution.
Proc.Natl.Acad.Sci.USA, 94, 1997
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3L63
 | | Crystal structure of camphor-bound P450cam at low [K+] | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B. | | Deposit date: | 2009-12-22 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | P450cam visits an open conformation in the absence of substrate.
Biochemistry, 49, 2010
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