5IJP
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1WBU
| Fragment based lead discovery using crystallography | Descriptor: | 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, RIBONUCLEASE | Authors: | Cleasby, A, Hartshorn, M.J, Murray, C.W, Jhoti, H, Tickle, I.J. | Deposit date: | 2004-11-05 | Release date: | 2005-01-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
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4LSA
| Crystal structure of BRI1 sud1 (Gly643Glu) bound to brassinolide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinolide, Protein BRASSINOSTEROID INSENSITIVE 1, ... | Authors: | Santiago, J, Henzler, C, Hothorn, M. | Deposit date: | 2013-07-22 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism for plant steroid receptor activation by somatic embryogenesis co-receptor kinases. Science, 341, 2013
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5LNC
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2V9K
| Crystal structure of human PUS10, a novel pseudouridine synthase. | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | McCleverty, C.J, Hornsby, M, Spraggon, G, Kreusch, A. | Deposit date: | 2007-08-23 | Release date: | 2007-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Pus10, a Novel Pseudouridine Synthase. J.Mol.Biol., 373, 2007
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2HHN
| Cathepsin S in complex with non covalent arylaminoethyl amide. | Descriptor: | Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | Deposit date: | 2006-06-28 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006
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2HH5
| Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide | Descriptor: | CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ... | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S. | Deposit date: | 2006-06-27 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers. Bioorg.Med.Chem.Lett., 16, 2006
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2I80
| Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | Descriptor: | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, D-alanine-D-alanine ligase | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M.-M, Tomich, P.K, Lin, A.H, Marotti, K.R. | Deposit date: | 2006-08-31 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HQT
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2HRA
| Crystal structures of the interacting domains from yeast glutamyl-tRNA synthetase and tRNA aminoacylation and nuclear export cofactor Arc1p reveal a novel function for an old fold | Descriptor: | Glutamyl-tRNA synthetase, cytoplasmic, IODIDE ION | Authors: | Simader, H, Hothorn, M, Suck, D. | Deposit date: | 2006-07-20 | Release date: | 2006-09-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of the interacting domains from yeast glutamyl-tRNA synthetase and tRNA-aminoacylation and nuclear-export cofactor Arc1p reveal a novel function for an old fold. ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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4LSC
| Isolated SERK1 co-receptor ectodomain at high resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Somatic embryogenesis receptor kinase 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Santiago, J, Henzler, C, Hothorn, M. | Deposit date: | 2013-07-22 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.529 Å) | Cite: | Molecular mechanism for plant steroid receptor activation by somatic embryogenesis co-receptor kinases. Science, 341, 2013
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2I8C
| Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine-D-alanine ligase, MAGNESIUM ION, ... | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R. | Deposit date: | 2006-09-01 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2I87
| Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | Descriptor: | D-alanine-D-alanine ligase, SULFATE ION | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R. | Deposit date: | 2006-09-01 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies. Proc.Natl.Acad.Sci.Usa, 103, 2006
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1ZR3
| Crystal structure of the macro-domain of human core histone variant macroH2A1.1 (form B) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, histone macroH2A1.1 | Authors: | Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G. | Deposit date: | 2005-05-19 | Release date: | 2006-02-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Splicing regulates NAD metabolite binding to histone macroH2A. Nat.Struct.Mol.Biol., 12, 2005
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1ZR5
| Crystal structure of the macro-domain of human core histone variant macroH2A1.2 | Descriptor: | H2AFY protein | Authors: | Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G. | Deposit date: | 2005-05-19 | Release date: | 2005-06-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Splicing regulates NAD metabolite binding to histone macroH2A. Nat.Struct.Mol.Biol., 12, 2005
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2OP3
| The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ... | Authors: | Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A. | Deposit date: | 2007-01-26 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. J.Med.Chem., 50, 2007
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2F1G
| Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide | Descriptor: | Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | Deposit date: | 2005-11-14 | Release date: | 2006-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3. Bioorg.Med.Chem.Lett., 16, 2006
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3FVF
| The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution | Descriptor: | 1-[4-(hydroxymethyl)phenyl]guanidine, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | Deposit date: | 2009-01-15 | Release date: | 2009-05-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci., 18, 2009
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3E0N
| The X-ray structure of Human Prostasin in complex with DFFR-chloromethyl ketone inhibitor | Descriptor: | DPN-PHE-ARM, GLYCEROL, Prostasin heavy chain, ... | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | Deposit date: | 2008-07-31 | Release date: | 2009-06-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci., 18, 2009
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3GYM
| Structure of Prostasin in Complex with Aprotinin | Descriptor: | Pancreatic trypsin inhibitor, Prostasin | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | Deposit date: | 2009-04-03 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci., 18, 2009
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3E1X
| The Crystal Structure of Apo Prostasin at 1.7 Angstroms Resolution | Descriptor: | GLYCEROL, Prostasin | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | Deposit date: | 2008-08-04 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci., 18, 2009
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3GYL
| Structure of Prostasin at 1.3 Angstroms resolution in complex with a Calcium Ion. | Descriptor: | CALCIUM ION, GLYCEROL, Prostasin | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | Deposit date: | 2009-04-03 | Release date: | 2009-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci., 18, 2009
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2H7J
| Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor. | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE | Authors: | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | Deposit date: | 2006-06-02 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. J.Med.Chem., 49, 2006
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2HXZ
| Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup) | Descriptor: | Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE, SULFATE ION | Authors: | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | Deposit date: | 2006-08-04 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. J.Med.Chem., 49, 2006
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